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(Z)-Methyl 2-methyl-3-phenylthiobut-3-enoate
SpectraBase Compound ID D7s6rEdghQk
InChI InChI=1S/C12H14O2S/c1-9(12(13)14-3)10(2)15-11-7-5-4-6-8-11/h4-9H,2H2,1,3H3
InChIKey PGMLAEKGRNAOKW-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UsfbpGjYH5
Name (Z)-Methyl 2-methyl-3-phenylthiobut-3-enoate
Alternate Name(s) Methyl 2-methyl-3-(phenylsulfanyl)-3-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-9(12(13)14-3)10(2)15-11-7-5-4-6-8-11/h4-9H,2H2,1,3H3
InChIKey PGMLAEKGRNAOKW-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES C(C(C(=O)OC)C)(Sc1ccccc1)=C
SPLASH splash10-000i-8910000000-79ecbf169ee6e2c1745c
Source of Spectrum F-50-4007-4
Wiley ID 1222169