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

*Links on SpectraBase are not permalinks.

Pimelic acid, 2-(tert-butyl)cyclohexyl octyl ester isomer 1

View entire compound with spectra: 2 MS (GC)

Pimelic acid, 2-(tert-butyl)cyclohexyl octyl ester isomer 1
SpectraBase Compound ID GbTddozTgY5
InChI InChI=1S/C25H46O4/c1-5-6-7-8-9-15-20-28-23(26)18-11-10-12-19-24(27)29-22-17-14-13-16-21(22)25(2,3)4/h21-22H,5-20H2,1-4H3
InChIKey IPZJTXPSKQSELC-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 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 9bw4OpiHIzl
Name Pimelic acid, 2-(tert-butyl)cyclohexyl octyl ester isomer 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-5-6-7-8-9-15-20-28-23(26)18-11-10-12-19-24(27)29-22-17-14-13-16-21(22)25(2,3)4/h21-22H,5-20H2,1-4H3
InChIKey IPZJTXPSKQSELC-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES C(CCCCCC(OC1C(CCCC1)C(C)(C)C)=O)(OCCCCCCCC)=O
SPLASH splash10-0a4l-9630000000-7ddbe2389cdacf0493ac
Source of Spectrum TIPS-2022-677-0
Wiley ID 1822194