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(E)-3-tert-butylsulfonyl-2-propenethioic acid S-phenyl ester
SpectraBase Compound ID BKejZ2i9wTc
InChI InChI=1S/C13H16O3S2/c1-13(2,3)18(15,16)10-9-12(14)17-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKey GXUWNEDTESRCSS-MDZDMXLPSA-N
Mol Weight 284.39 g/mol
Molecular Formula C13H16O3S2
Exact Mass 284.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYjojBk2Oyo
Name (E)-3-tert-butylsulfonyl-2-propenethioic acid S-phenyl ester
Alternate Name(s) (E)-3-tert-butylsulfonylprop-2-enethioic acid S-phenyl ester S-phenyl (E)-3-tert-butylsulfonylprop-2-enethioate
CAS Registry Number 120453-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S2
InChI InChI=1S/C13H16O3S2/c1-13(2,3)18(15,16)10-9-12(14)17-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKey GXUWNEDTESRCSS-MDZDMXLPSA-N
Molecular Weight 284.388 g/mol
SMILES C(\C=C\S(C(C)(C)C)(=O)=O)(Sc1ccccc1)=O
SPLASH splash10-0bt9-9500000000-a012fb698d1152ae97dd
Source of Spectrum B-41-888-7
Wiley ID 1287508