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3-Cyclohexene-1-carboxylic acid, 6-(1,3-benzothiazol-2-yl)-
SpectraBase Compound ID Bwi7fEmoP8N
InChI InChI=1S/C14H13NO2S/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h1-4,7-10H,5-6H2,(H,16,17)
InChIKey WWZWHMKDOILESF-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 KTvRWDmhBeS
Name 3-Cyclohexene-1-carboxylic acid, 6-(1,3-benzothiazol-2-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2S
InChI InChI=1S/C14H13NO2S/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h1-4,7-10H,5-6H2,(H,16,17)
InChIKey WWZWHMKDOILESF-UHFFFAOYSA-N
Molecular Weight 259.323 g/mol
SMILES OC(C1C(c2nc3ccccc3s2)CC=CC1)=O
SPLASH splash10-08g0-8960000000-5c27c3b1d0844372d2ef
Source of Spectrum IY-1-4532-2
Synonyms 6-(1,3-benzothiazol-2-yl)-1-cyclohex-3-enecarboxylic acid
Wiley ID 1653305