For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Pimelic acid, 4-methylcyclohexyl pentadecyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl pentadecyl ester isomer 1
SpectraBase Compound ID CPJoKo2XNNQ
InChI InChI=1S/C29H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32-28(30)19-16-15-17-20-29(31)33-27-23-21-26(2)22-24-27/h26-27H,3-25H2,1-2H3
InChIKey VVMMHQLKGVDXAF-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LWQzVaFJsvU
Name Pimelic acid, 4-methylcyclohexyl pentadecyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-32-28(30)19-16-15-17-20-29(31)33-27-23-21-26(2)22-24-27/h26-27H,3-25H2,1-2H3
InChIKey VVMMHQLKGVDXAF-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-9700000000-e58925264126df7c8dfb
Source of Spectrum TIPS-2022-531-0
Wiley ID 1822048