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Tricarballylic acid

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

Tricarballylic acid
SpectraBase Compound ID BzdsYTUtq9Q
InChI InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey KQTIIICEAUMSDG-UHFFFAOYSA-N
Mol Weight 176.12 g/mol
Molecular Formula C6H8O6
Exact Mass 176.032088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7vpuLFcVIIB
Name Tricarballylic acid
CAS Registry Number 99-14-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O6
InChI InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey KQTIIICEAUMSDG-UHFFFAOYSA-N
Molecular Weight 176.124 g/mol
SMILES OC(CC(CC(=O)O)C(=O)O)=O
SPLASH splash10-01p6-9200000000-d6aa7b7beab401657445
Source of Spectrum NP-2-7396-0
Synonyms .beta.-Carboxyglutaric acid 1,2,3-Propane tricarboxylic acid Carballylic acid Propane 1,2,3-tricarboxylic acid Tricarballylate
Wiley ID 1101629