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

*Links on SpectraBase are not permalinks.
Pimelic acid, 3-nitrobenzyl heptyl ester
SpectraBase Compound ID 4iaHAIDOVRF
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-9-15-27-20(23)13-7-6-8-14-21(24)28-17-18-11-10-12-19(16-18)22(25)26/h10-12,16H,2-9,13-15,17H2,1H3
InChIKey UHHCXZXMSPLIHJ-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C21H31NO6
Exact Mass 393.215138 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 2f2oUWcPQiz
Name Pimelic acid, 3-nitrobenzyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO6
InChI InChI=1S/C21H31NO6/c1-2-3-4-5-9-15-27-20(23)13-7-6-8-14-21(24)28-17-18-11-10-12-19(16-18)22(25)26/h10-12,16H,2-9,13-15,17H2,1H3
InChIKey UHHCXZXMSPLIHJ-UHFFFAOYSA-N
Molecular Weight 393.480 g/mol
SMILES C(CCCCCC(OCc1cccc(c1)N(=O)=O)=O)(OCCCCCCC)=O
SPLASH splash10-002u-8910000000-72771368e78ef43e7749
Source of Spectrum TIPS-2022-697-0
Wiley ID 1822214