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Thiophene, 2-butyl-3-methyl-, 1,1-dioxide
SpectraBase Compound ID LCUDgappgpq
InChI InChI=1S/C9H14O2S/c1-3-4-5-9-8(2)6-7-12(9,10)11/h6-7H,3-5H2,1-2H3
InChIKey BRAUAXYWDUXILJ-UHFFFAOYSA-N
Mol Weight 186.27 g/mol
Molecular Formula C9H14O2S
Exact Mass 186.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvZVtiKcSdM
Name Thiophene, 2-butyl-3-methyl-, 1,1-dioxide
Alternate Name(s) 2-Butly-3-methyl-thiophene-1,1-dioxide 2-Butyl-3-methylthiophene 1,1-dioxide 2-n-butyl-3-methylthiophene-1,1-dioxide
CAS Registry Number 125509-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-3-4-5-9-8(2)6-7-12(9,10)11/h6-7H,3-5H2,1-2H3
InChIKey BRAUAXYWDUXILJ-UHFFFAOYSA-N
Molecular Weight 186.269 g/mol
SMILES C=1(S(C=CC1C)(=O)=O)CCCC
SPLASH splash10-0007-9200000000-61fdea5cf3a62cc2be5a
Source of Spectrum O-24-701-4
Wiley ID 1182477