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4H-1-Benzothiopyran-4-one, 3-[(2-chloro-1-methyl-1-propenyl)thio]-, (E)-
SpectraBase Compound ID GgwYdVJPc53
InChI InChI=1S/C13H11ClOS2/c1-8(14)9(2)17-12-7-16-11-6-4-3-5-10(11)13(12)15/h3-7H,1-2H3/b9-8+
InChIKey BMCQMZVSNGLRFI-CMDGGOBGSA-N
Mol Weight 282.8 g/mol
Molecular Formula C13H11ClOS2
Exact Mass 281.993985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GXu206wZOP
Name 4H-1-Benzothiopyran-4-one, 3-[(2-chloro-1-methyl-1-propenyl)thio]-, (E)-
CAS Registry Number 121926-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClOS2
InChI InChI=1S/C13H11ClOS2/c1-8(14)9(2)17-12-7-16-11-6-4-3-5-10(11)13(12)15/h3-7H,1-2H3/b9-8+
InChIKey BMCQMZVSNGLRFI-CMDGGOBGSA-N
Molecular Weight 282.803 g/mol
SMILES C=1(C(c2ccccc2SC1)=O)S\C(=C/(Cl)C)C
SPLASH splash10-000f-1900000000-b2bcdb9095076f08ff94
Source of Spectrum I-67-378-11
Synonyms 3-{[(1E)-2-chloro-1-methyl-1-propenyl]sulfanyl}-4H-1-benzothiopyran-4-one E-3-(2'-chloro-1'-methyl-1'-propenylthio)thiochromone
Wiley ID 1285450