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4-(3-Carboxybenzoyl)isophthalic acid
SpectraBase Compound ID 54rpYUIjATe
InChI InChI=1S/C16H10O7/c17-13(8-2-1-3-9(6-8)14(18)19)11-5-4-10(15(20)21)7-12(11)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChIKey PPCOWOLQAZIEHS-UHFFFAOYSA-N
Mol Weight 314.25 g/mol
Molecular Formula C16H10O7
Exact Mass 314.042653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSrfkKhvYdS
Name 4-(3-Carboxybenzoyl)isophthalic acid
CAS Registry Number 75144-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10O7
InChI InChI=1S/C16H10O7/c17-13(8-2-1-3-9(6-8)14(18)19)11-5-4-10(15(20)21)7-12(11)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChIKey PPCOWOLQAZIEHS-UHFFFAOYSA-N
Molecular Weight 314.249 g/mol
SMILES OC(c1cccc(C(c2ccc(C(O)=O)cc2C(O)=O)=O)c1)=O
SPLASH splash10-0002-4920000000-d371f72100dad42ee8d0
Source of Spectrum W5-1989-33041-32495
Synonyms 2,3,4'-Benzophenonetricarboxylic acid 4-(3-carboxybenzoyl)benzene-1,3-dicarboxylic acid 4-(3-carboxyphenyl)carbonylbenzene-1,3-dicarboxylic acid 4-[(3-carboxyphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid
Wiley ID 1314848