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Benzoic acid, 4-benzoyl-, 2-[(1-oxotetradecyl)oxy]cyclohexyl ester, trans-
SpectraBase Compound ID GqcAfnBKwVa
InChI InChI=1S/C34H46O5/c1-2-3-4-5-6-7-8-9-10-11-15-22-32(35)38-30-20-16-17-21-31(30)39-34(37)29-25-23-28(24-26-29)33(36)27-18-13-12-14-19-27/h12-14,18-19,23-26,30-31H,2-11,15-17,20-22H2,1H3/t30-,31-/m1/s1
InChIKey CICZPSDLAYEVJS-FIRIVFDPSA-N
Mol Weight 534.7 g/mol
Molecular Formula C34H46O5
Exact Mass 534.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xvWbxIrtwP
Name Benzoic acid, 4-benzoyl-, 2-[(1-oxotetradecyl)oxy]cyclohexyl ester, trans-
Alternate Name(s) (1R,2R)-2-(tetradecanoyloxy)cyclohexyl 4-benzoylbenzoate trans-1,2-cyclohexandiyl-1-(4-benzolbenzoato)-2-tetradecanoate
CAS Registry Number 71778-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46O5
InChI InChI=1S/C34H46O5/c1-2-3-4-5-6-7-8-9-10-11-15-22-32(35)38-30-20-16-17-21-31(30)39-34(37)29-25-23-28(24-26-29)33(36)27-18-13-12-14-19-27/h12-14,18-19,23-26,30-31H,2-11,15-17,20-22H2,1H3/t30-,31-/m1/s1
InChIKey CICZPSDLAYEVJS-FIRIVFDPSA-N
Molecular Weight 534.737 g/mol
SMILES C(O[C@]1([C@](OC(=O)CCCCCCCCCCCCC)(CCCC1)[H])[H])(c1ccc(C(=O)c2ccccc2)cc1)=O
SPLASH splash10-08fr-0191000000-bdc24873527ddb772b13
Source of Spectrum K-116-770-0
Wiley ID 1403887