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Benzoic acid, 4-(2-benzothiazolyl)-
SpectraBase Compound ID KUNKO5EUAEg
InChI InChI=1S/C14H9NO2S/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8H,(H,16,17)
InChIKey PZLVNQBPCDMJFR-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C14H9NO2S
Exact Mass 255.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7i31xUXIqsW
Name Benzoic acid, 4-(2-benzothiazolyl)-
Alternate Name(s) 4-(1,3-benzothiazol-2-yl)benzoic acid
CAS Registry Number 2182-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2S
InChI InChI=1S/C14H9NO2S/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8H,(H,16,17)
InChIKey PZLVNQBPCDMJFR-UHFFFAOYSA-N
Molecular Weight 255.291 g/mol
SMILES OC(c1ccc(-c2nc3ccccc3s2)cc1)=O
SPLASH splash10-0a4i-0090000000-f1b77728c83b10e0e762
Source of Spectrum O-21-82-4
Wiley ID 1258778