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1-Butanone, 1-[2,5-dihydro-2-(2-oxiranylethyl)-3-thienyl]-, S,S-dioxide
SpectraBase Compound ID EhgUU4S8rlr
InChI InChI=1S/C12H18O4S/c1-2-3-11(13)10-6-7-17(14,15)12(10)5-4-9-8-16-9/h6,9,12H,2-5,7-8H2,1H3
InChIKey NVOITOIQFMFWRQ-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZcGqwwBZpP
Name 1-Butanone, 1-[2,5-dihydro-2-(2-oxiranylethyl)-3-thienyl]-, S,S-dioxide
Alternate Name(s) 1-[2,5-dihydro-2-(2-oxiranylethyl)-3-thienyl]-1-butanone S,S-dioxide 1-{1,1-dioxido-2-[2-(2-oxiranyl)ethyl]-2,5-dihydro-3-thienyl}-1-butanone
CAS Registry Number 73971-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4S
InChI InChI=1S/C12H18O4S/c1-2-3-11(13)10-6-7-17(14,15)12(10)5-4-9-8-16-9/h6,9,12H,2-5,7-8H2,1H3
InChIKey NVOITOIQFMFWRQ-UHFFFAOYSA-N
Molecular Weight 258.332 g/mol
SMILES C1(S(CC=C1C(=O)CCC)(=O)=O)CCC1OC1
SPLASH splash10-002f-0920000000-b08a7882fc2389804dd3
Source of Spectrum C-103-6392-0
Wiley ID 1261392