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4-(3,6-Dioxo-1,4-cyclohexadien-1-yl)benzoic acid
SpectraBase Compound ID Jx1PBE9y7Uk
InChI InChI=1S/C13H8O4/c14-10-5-6-12(15)11(7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKey NPIYULNKQVGPNM-UHFFFAOYSA-N
Mol Weight 228.2 g/mol
Molecular Formula C13H8O4
Exact Mass 228.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49BP7Iq2eTp
Name 4-(3,6-Dioxo-1,4-cyclohexadien-1-yl)benzoic acid
Alternate Name(s) 4-(1,4-Benzoquinonyl)benzoic acid 4-(3,6-diketocyclohexa-1,4-dien-1-yl)benzoic acid 4-(3,6-dioxo-1-cyclohexa-1,4-dienyl)benzoic acid 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzoic acid 4-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]benzoic acid
CAS Registry Number 30681-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8O4
InChI InChI=1S/C13H8O4/c14-10-5-6-12(15)11(7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
InChIKey NPIYULNKQVGPNM-UHFFFAOYSA-N
Molecular Weight 228.203 g/mol
SMILES OC(c1ccc(cc1)C1=CC(C=CC1=O)=O)=O
SPLASH splash10-0ugi-9500000000-85f92811d5d5ab7b3c03
Wiley ID 1470679