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3-Thiophenecarboxylic acid, 5-(3-hydroxybenzoyl)-2-(phenylamino)-, phenylmethyl ester
SpectraBase Compound ID 5aZgMyGb756
InChI InChI=1S/C25H19NO4S/c27-20-13-7-10-18(14-20)23(28)22-15-21(24(31-22)26-19-11-5-2-6-12-19)25(29)30-16-17-8-3-1-4-9-17/h1-15,26-27H,16H2
InChIKey IBJQMMRNDPZORD-UHFFFAOYSA-N
Mol Weight 429.49 g/mol
Molecular Formula C25H19NO4S
Exact Mass 429.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1sC5Y8Ypuq
Name 3-Thiophenecarboxylic acid, 5-(3-hydroxybenzoyl)-2-(phenylamino)-, phenylmethyl ester
Alternate Name(s) Benzyl 5-(3-hydroxybenzoyl)-2-(phenylamino)thiophene-3-carboxylate 2-Anilino-5-[(3-hydroxyphenyl)-oxomethyl]-3-thiophenecarboxylic acid (phenylmethyl) ester Benzyl 2-anilino-5-(3-hydroxybenzoyl)thiophene-3-carboxylate (phenylmethyl) 5-(3-hydroxyphenyl)carbonyl-2-phenylazanyl-thiophene-3-carboxylate
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Formula C25H19NO4S
InChI InChI=1S/C25H19NO4S/c27-20-13-7-10-18(14-20)23(28)22-15-21(24(31-22)26-19-11-5-2-6-12-19)25(29)30-16-17-8-3-1-4-9-17/h1-15,26-27H,16H2
InChIKey IBJQMMRNDPZORD-UHFFFAOYSA-N
Molecular Weight 429.490 g/mol
SMILES Oc1cccc(C(c2cc(c(s2)Nc2ccccc2)C(=O)OCc2ccccc2)=O)c1
SPLASH splash10-0006-9210200000-abd2131cdb9d8fe8513b
Source of Spectrum JX-2015-4-377
Wiley ID 1725819