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Benzenehexacarboxylic acid

View entire compound with spectra: 2 NMR, 2 FTIR, 1 UV-Vis, and 3 MS (GC)

Benzenehexacarboxylic acid
SpectraBase Compound ID 5y193JYOx0
InChI InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey YDSWCNNOKPMOTP-UHFFFAOYSA-N
Mol Weight 342.17 g/mol
Molecular Formula C12H6O12
Exact Mass 341.985926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zDojI1RTM
Name Benzenehexacarboxylic acid
Alternate Name(s) 1,2,3,4,5,6-Benzenehexacarboxylic acid benzene-1,2,3,4,5,6-hexacarboxylic acid Hexacarboxybenzene Mellic acid Mellitic acid EINECS 208-243-6 NSC 229358
CAS Registry Number 517-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6O12
InChI InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey YDSWCNNOKPMOTP-UHFFFAOYSA-N
Molecular Weight 342.168 g/mol
SMILES OC(c1c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)=O
SPLASH splash10-006x-9760000000-918a0b7a53305318fcc0
Source of Spectrum NP-18-8494-0
Wiley ID 1110222