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Benzo[b]thiophene, 3-chloro-2-methyl-, 1-oxide
SpectraBase Compound ID IJjT7N1A8d5
InChI InChI=1S/C9H7ClOS/c1-6-9(10)7-4-2-3-5-8(7)12(6)11/h2-5H,1H3
InChIKey VRPMISODOLQETR-UHFFFAOYSA-N
Mol Weight 198.67 g/mol
Molecular Formula C9H7ClOS
Exact Mass 197.990614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uVow3NOHUF
Name Benzo[b]thiophene, 3-chloro-2-methyl-, 1-oxide
Alternate Name(s) 2-Methyl-3-chloro-benzo(b)thiophene-1-oxide 3-chloro-2-methyl-1-benzothiophene 1-oxide
CAS Registry Number 57147-31-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7ClOS
InChI InChI=1S/C9H7ClOS/c1-6-9(10)7-4-2-3-5-8(7)12(6)11/h2-5H,1H3
InChIKey VRPMISODOLQETR-UHFFFAOYSA-N
Molecular Weight 198.667 g/mol
SMILES c1([s](c2c(c1Cl)cccc2)=O)C
SPLASH splash10-03di-0910000000-bf781a3118405832df3c
Source of Spectrum AC-1977-273-5
Wiley ID 1194967