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

*Links on SpectraBase are not permalinks.
Pimelic acid, 2-methylpent-3-yl octyl ester
SpectraBase Compound ID 5UTGaSHbjYj
InChI InChI=1S/C21H40O4/c1-5-7-8-9-10-14-17-24-20(22)15-12-11-13-16-21(23)25-19(6-2)18(3)4/h18-19H,5-17H2,1-4H3
InChIKey JTNWFXVFTAIWPM-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 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 Er2UySsMjLT
Name Pimelic acid, 2-methylpent-3-yl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-5-7-8-9-10-14-17-24-20(22)15-12-11-13-16-21(23)25-19(6-2)18(3)4/h18-19H,5-17H2,1-4H3
InChIKey JTNWFXVFTAIWPM-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCCCCC(OC(CC)C(C)C)=O)(OCCCCCCCC)=O
SPLASH splash10-0006-9810000000-1d8bf14fc4da4d8bc9db
Source of Spectrum TIPS-2022-877-0
Wiley ID 1822394