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Thiophene, 3-butyl-4-methyl-, 1,1-dioxide
SpectraBase Compound ID 1shAOjUHhu6
InChI InChI=1S/C9H14O2S/c1-3-4-5-9-7-12(10,11)6-8(9)2/h6-7H,3-5H2,1-2H3
InChIKey DDYWRWHSGNBXRO-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 6AhFx85LTk7
Name Thiophene, 3-butyl-4-methyl-, 1,1-dioxide
CAS Registry Number 125509-42-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2S
InChI InChI=1S/C9H14O2S/c1-3-4-5-9-7-12(10,11)6-8(9)2/h6-7H,3-5H2,1-2H3
InChIKey DDYWRWHSGNBXRO-UHFFFAOYSA-N
Molecular Weight 186.269 g/mol
SMILES C=1S(C=C(C1C)CCCC)(=O)=O
SPLASH splash10-0005-9500000000-fff3c3b2861f4a4b8e78
Source of Spectrum O-27-489-0
Synonyms 3-n-butyl-4-methylthiophene-1,1-dioxide
Wiley ID 1182474