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4H-1-Benzothiopyran-4-one, 3-[(2-chloro-2-methylpropyl)thio]-
SpectraBase Compound ID 1SFGz6EzHsC
InChI InChI=1S/C13H13ClOS2/c1-13(2,14)8-17-11-7-15-10-6-4-3-5-9(10)12(11)16/h3-7H,8H2,1-2H3
InChIKey RZBZAPKKSPKIOH-UHFFFAOYSA-N
Mol Weight 284.82 g/mol
Molecular Formula C13H13ClOS2
Exact Mass 284.009635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBxHWeYMMyy
Name 4H-1-Benzothiopyran-4-one, 3-[(2-chloro-2-methylpropyl)thio]-
CAS Registry Number 121926-47-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClOS2
InChI InChI=1S/C13H13ClOS2/c1-13(2,14)8-17-11-7-15-10-6-4-3-5-9(10)12(11)16/h3-7H,8H2,1-2H3
InChIKey RZBZAPKKSPKIOH-UHFFFAOYSA-N
Molecular Weight 284.819 g/mol
SMILES C1(C(=COc2c1cccc2)SCC(Cl)(C)C)=S
SPLASH splash10-0005-0940000000-45f5f87f1085091576fe
Source of Spectrum I-67-378-9
Synonyms 3-(2'-Chloro-2'-methylpropylthio)thiochromone 3-[(2-chloro-2-methylpropyl)sulfanyl]-4H-chromene-4-thione
Wiley ID 1287497