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5-(but-3'-enyl)-2-phenylthiazole-4-carboxylic acid
SpectraBase Compound ID 16twbeFixbt
InChI InChI=1S/C14H13NO2S/c1-2-3-9-11-12(14(16)17)15-13(18-11)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2,(H,16,17)
InChIKey QBMHJMLJZVGRPF-UHFFFAOYSA-N
Mol Weight 259.32 g/mol
Molecular Formula C14H13NO2S
Exact Mass 259.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJMzOPVLCg
Name 5-(but-3'-enyl)-2-phenylthiazole-4-carboxylic acid
Alternate Name(s) 5-(3-butenyl)-2-phenyl-1,3-thiazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2S
InChI InChI=1S/C14H13NO2S/c1-2-3-9-11-12(14(16)17)15-13(18-11)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2,(H,16,17)
InChIKey QBMHJMLJZVGRPF-UHFFFAOYSA-N
Molecular Weight 259.323 g/mol
SMILES OC(c1nc(-c2ccccc2)sc1CCC=C)=O
SPLASH splash10-01b9-1980000000-79c647d248170fcaf8ea
Source of Spectrum KC-1991-2426-35
Wiley ID 1262667