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

*Links on SpectraBase are not permalinks.

cis-Aconitic acid

View entire compound with spectra: 7 NMR, 4 FTIR, 1 Raman, and 5 MS (GC)

cis-Aconitic acid
SpectraBase Compound ID GATRc7ZoLhj
InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-N
Mol Weight 174.11 g/mol
Molecular Formula C6H6O6
Exact Mass 174.016438 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 BxqcZaTVpiu
Name (1Z)-1-propene-1,2,3-tricarboxylic acid
CAS Registry Number 499-12-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O6
InChI InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-
InChIKey GTZCVFVGUGFEME-IWQZZHSRSA-N
Molecular Weight 174.108 g/mol
SMILES OC(\C(CC(=O)O)=C\C(=O)O)=O
SPLASH splash10-0019-9100000000-0c21bdbeb495f6518a85
Source of Spectrum HE-1986-1924-0
Synonyms (E)-1-Propene-1,2,3-tricarboxylic acid (Z)-1-propene-1,2,3-tricarboxylic acid (Z)-prop-1-ene-1,2,3-tricarboxylic acid 1,2,3-Propenetricarboxylic acid 1-Propene-1,2,3-tricarboxylic acid 1-Propene-1,2,3-tricarboxylic acid, (E)- 1-Propene-1,trans-2,3-tricarboxylic acid 2-Pentenedioic acid, 3-carboxy- 3-Carboxy-2-pentenedioic acid 3-Carboxyglutaconic acid Achilleaic acid Achilleic acid Aconitic Acid Aconitic acid, trans Citridic acid Citridinic acid Equisetic acid Glutaconic acid, 3-carboxy- Prop-1-ene-1,2,3-tricarboxylic acid Propene-1,2,3-tricarboxylic acid Pyrocitric acid trans-1-propene-1,2,3-tricarboxylic acid trans-Aconitate trans-Aconitic acid AI3-14615 CCRIS 2507 EINECS 207-877-0 FEMA NO. 2010 HSDB 635 NSC 7616
Wiley ID 1170054