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Reference substances

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CAS number:
135800-37-2

Synonyms

Molecular and structural information

Molecular formula:
C16H32O2 to C26H52O2
Molecular weight:
256.4 - 396.7
SMILES notation:
Example for SMILES code:
O=C(OCC(CCCC)CC)CCCCCCC
and
O=C(OCC(CCCC)CC)CCCCCCCCCCCCCCCCC
InChl:
Example for InChI:
InChI=1/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3
and
InChI=1/C26H50O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h14-15,25H,4-13,16-24H2,1-3H3/b15-14+
Structural formula:
Chemical structure

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