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

*Links on SpectraBase are not permalinks.

Pimelic acid, dimethyl ester

View entire compound with spectra: 8 NMR, 6 FTIR, 1 Raman, and 17 MS (GC)

Pimelic acid, dimethyl ester
SpectraBase Compound ID GPbVGJNE4cI
InChI InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey SHWINQXIGSEZAP-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 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 54c8LKoVxg
Name Heptanedioic acid, dimethyl ester
Alternate Name(s) Pimelic acid, dimethyl ester Dimethyl 1,7-heptanedioate Dimethyl ester of heptanedioic acid Dimethyl heptanedioate Dimethyl pimelate Heptanedioic acid dimethyl ester AI3-32541 EINECS 217-057-4 NSC 52563
CAS Registry Number 1732-08-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChIKey SHWINQXIGSEZAP-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES C(=O)(CCCCCC(=O)OC)OC
SPLASH splash10-066u-9300000000-c844e23bab04380f805b
Source of Spectrum JC-360-84-0
Wiley ID 1184348