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

*Links on SpectraBase are not permalinks.

Pimelic acid, 4-methylcyclohexyl butyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 4-methylcyclohexyl butyl ester isomer 1
SpectraBase Compound ID 16pk4BHFLBt
InChI InChI=1S/C18H32O4/c1-3-4-14-21-17(19)8-6-5-7-9-18(20)22-16-12-10-15(2)11-13-16/h15-16H,3-14H2,1-2H3
InChIKey JTABAPGQNFFNII-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 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 IOROntTGuoh
Name Pimelic acid, 4-methylcyclohexyl butyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-3-4-14-21-17(19)8-6-5-7-9-18(20)22-16-12-10-15(2)11-13-16/h15-16H,3-14H2,1-2H3
InChIKey JTABAPGQNFFNII-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CCCCCC(OC1CCC(CC1)C)=O)(OCCCC)=O
SPLASH splash10-054p-9800000000-76362edaae0d3df5d3e2
Source of Spectrum TIPS-2022-520-0
Wiley ID 1822037