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(E)-2-methyl-3-(phenylthio)-2-propenal
SpectraBase Compound ID xdzXXxIVWq
InChI InChI=1S/C10H10OS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-8H,1H3/b9-8+
InChIKey IKSXKXHZSHUWRW-CMDGGOBGSA-N
Mol Weight 178.25 g/mol
Molecular Formula C10H10OS
Exact Mass 178.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CcCIUmGkv8
Name (E)-2-methyl-3-(phenylthio)-2-propenal
Alternate Name(s) (E)-2-methyl-3-(phenylthio)acrolein (E)-2-methyl-3-phenylsulfanyl-prop-2-enal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10OS
InChI InChI=1S/C10H10OS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-8H,1H3/b9-8+
InChIKey IKSXKXHZSHUWRW-CMDGGOBGSA-N
Molecular Weight 178.249 g/mol
SMILES c1(S\C=C\(C=O)C)ccccc1
SPLASH splash10-01t9-0900000000-6c7750de258552f1d4a8
Source of Spectrum KD-12-2194-11
Wiley ID 1634685