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8-BENZYLTHIO-5-CARBOXY-QUINOLINE
SpectraBase Compound ID 1ovfCYUfMt0
InChI InChI=1S/C17H13NO2S/c19-17(20)14-8-9-15(16-13(14)7-4-10-18-16)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20)
InChIKey CMVHCMVJDFYTMK-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C17H13NO2S
Exact Mass 295.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16YDu0PIY4
Name 8-(benzylthio)quinoline-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13NO2S
InChI InChI=1S/C17H13NO2S/c19-17(20)14-8-9-15(16-13(14)7-4-10-18-16)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20)
InChIKey CMVHCMVJDFYTMK-UHFFFAOYSA-N
Molecular Weight 295.356 g/mol
SMILES OC(c1c2c(nccc2)c(cc1)SCc1ccccc1)=O
SPLASH splash10-03dm-4390000000-bab9b677bf069de2c528
Source of Spectrum Y-28-662-12
Synonyms 8-(Phenylmethylsulfanyl)quinoline-5-carboxylic acid 8-(Phenylmethylthio)-5-quinolinecarboxylic acid 8-Benzylsulfanylquinoline-5-carboxylic acid
Wiley ID 1298227