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3-Methyl-2-(2,6-dioxocyclohexylidene)benzothiazole
SpectraBase Compound ID 3TTNtCMssce
InChI InChI=1S/C14H13NO2S/c1-15-9-5-2-3-8-12(9)18-14(15)13-10(16)6-4-7-11(13)17/h2-3,5,8H,4,6-7H2,1H3
InChIKey RZNPYRKHEQKZRW-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 Cah8vuZwOQp
Name 3-Methyl-2-(2,6-dioxocyclohexylidene)benzothiazole
Alternate Name(s) 2-(3-Methyl-1,3-benzothiazol-2(3H)-ylidene)-1,3-cyclohexanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2S
InChI InChI=1S/C14H13NO2S/c1-15-9-5-2-3-8-12(9)18-14(15)13-10(16)6-4-7-11(13)17/h2-3,5,8H,4,6-7H2,1H3
InChIKey RZNPYRKHEQKZRW-UHFFFAOYSA-N
Molecular Weight 259.323 g/mol
SMILES C1(=C2C(=O)CCCC2=O)N(c2ccccc2S1)C
SPLASH splash10-0btl-0490000000-775317974467f181edc2
Source of Spectrum QE-7-2755-19
Wiley ID 845853