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DCAZNDCIMXHKOS-UHFFFAOYSA-N
SpectraBase Compound ID 6K40IVuxFVD
InChI InChI=1S/C9H8O2S/c1-7-6-12(10,11)9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey DCAZNDCIMXHKOS-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33t8REkxdsU
Name Benzo[b]thiophene, 3-methyl-, 1,1-dioxide
CAS Registry Number 6406-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c1-7-6-12(10,11)9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey DCAZNDCIMXHKOS-UHFFFAOYSA-N
Molecular Weight 180.221 g/mol
SMILES C=1S(=O)(c2c(C1C)cccc2)=O
SPLASH splash10-0ue9-0900000000-d152fb2abe5609a27221
Source of Spectrum AC-1977-274-7
Synonyms 3-Methyl-1-benzothiophene 1,1-dioxide 3-Methyl-1-thiaindene 1,1-dioxide 3-Methyl-benzo(b)thiophene-1,1-dioxide 3-Methylbenzothiophene 1,1-dioxide 3-Methylbenzo[b]thiophene dioxide Benzo[b]thiophene 1,1-dioxide, 3-methyl-
Wiley ID 1175889