Registration Dossier
Registration Dossier
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EC number: 907-713-4 | CAS number: -
Reference substances
- IUPAC name:
- Reaction mass of 1-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-1-en-3-one and 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Inventory
Synonyms
- Names:
- Identifier:
- IUPAC name
- Reaction mass of 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one and 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
- Identifier:
- other: Molecular formula
- C14H22O
- Identifier:
- other: SMILES notation
- CCC(=O)C=CC1C(=CCCC1(C)C)C
- Identifier:
- other: InChl
- InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
- Identifier:
- other: SMILES notation
- Reaction mass of CC1(C)C(/C=C/C(CC)=O)C(C)=CCC1 and CC1(C)C(/C=C/C(CC)=O)=C(C)CCC1
- Identifier:
- other: InChl
- Reaction mass of InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+ and InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3/b9-8+
Molecular and structural information
- Molecular formula:
- C14H22O
- Molecular weight:
- 206.324
- SMILES notation:
- Reaction mass of C\C1=C\CCC(C)(C)C1C=CC(=O)CC and CC1(C)CCCC(\C)=C1\C=CC(=O)CC
- InChl:
- Reaction mass of InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3 and InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9H,5-7,10H2,1-4H3
- Structural formula:
Related substances
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