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3-(methylthio)-1-benzothiophene
SpectraBase Compound ID 4KqttEpKMfd
InChI InChI=1S/C9H8S2/c1-10-9-6-11-8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey HWYAMLASZGUXGB-UHFFFAOYSA-N
Mol Weight 180.28 g/mol
Molecular Formula C9H8S2
Exact Mass 180.006743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82ULd6eEQlt
Name 3-(methylthio)-1-benzothiophene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8S2
InChI InChI=1S/C9H8S2/c1-10-9-6-11-8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey HWYAMLASZGUXGB-UHFFFAOYSA-N
Molecular Weight 180.283 g/mol
SMILES c1sc2c(c1SC)cccc2
SPLASH splash10-00lr-0900000000-d2c3ddb0727bf542015e
Source of Spectrum F-48-7834-16
Synonyms 3-Methylsulfanylbenzothiophene 3-methylsulfanyl-1-benzothiophene
Wiley ID 1175950