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

*Links on SpectraBase are not permalinks.
Pimelic acid, 3-ethylphenyl hexyl ester
SpectraBase Compound ID 2zTBsiIy3vt
InChI InChI=1S/C21H32O4/c1-3-5-6-10-16-24-20(22)14-8-7-9-15-21(23)25-19-13-11-12-18(4-2)17-19/h11-13,17H,3-10,14-16H2,1-2H3
InChIKey SOQLDHYMRNOKSF-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 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 BJHkekMpcbV
Name Pimelic acid, 3-ethylphenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-5-6-10-16-24-20(22)14-8-7-9-15-21(23)25-19-13-11-12-18(4-2)17-19/h11-13,17H,3-10,14-16H2,1-2H3
InChIKey SOQLDHYMRNOKSF-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCCC)=O
SPLASH splash10-00fu-5910000000-1cecbb04ced92b0f2cc1
Source of Spectrum TIPS-2022-490-0
Wiley ID 1822007