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Reference substances

Reference substances

Currently viewing:
IUPAC name:
(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate

Inventory

EC number:
204-727-6
EC name:
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
CAS number:
125-12-2
CAS number:
125-12-2
Synonyms
Names:
exo- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
Acetic acid, isobornyl ester
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-
Isobornyl acetate
Identifier:
IUPAC name
(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
Identifier:
IUPAC name
(1S,2S,4S) 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
Identifier:
IUPAC name
Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
Identifier:
IUPAC name
[(1S,4R,6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate
Identifier:
common name
Isobornyl acetate
Identifier:
other: InChl
1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
Identifier:
other: Molecular formula
C24H40O4
Identifier:
other: SMILES notation
CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
Identifier:
other: InChl
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12-/m1/s1
Identifier:
other: SMILES notation
O=C(OC1C2(C(C(CC2)C1)(C)C)C)C
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

Molecular and structural information

Molecular formula:
C12H20O2
Molecular weight:
ca. 196.286
SMILES notation:
CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChl:
InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
Structural formula:
Chemical structure

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