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2-Naphthalenecarboxylic acid, 3-mercapto-, phenyl ester
SpectraBase Compound ID Jf78siWqsZC
InChI InChI=1S/C17H12O2S/c18-17(19-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)20/h1-11,20H
InChIKey XTICZCMKNLNAGF-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C17H12O2S
Exact Mass 280.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1yzGJKurZ9
Name 2-Naphthalenecarboxylic acid, 3-mercapto-, phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O2S
InChI InChI=1S/C17H12O2S/c18-17(19-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)20/h1-11,20H
InChIKey XTICZCMKNLNAGF-UHFFFAOYSA-N
Molecular Weight 280.341 g/mol
SMILES Sc1cc2ccccc2cc1C(=O)Oc1ccccc1
SPLASH splash10-000i-3900000000-64afdd6448a23cad358a
Source of Spectrum JX-2015-2-938
Synonyms Phenyl 3-mercapto-2-naphthoate Phenyl 3-sulfanylnaphthalene-2-carboxylate 3-Mercapto-2-naphthalenecarboxylic acid phenyl ester
Wiley ID 1722623