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3-(Phenylsulfanyl)pent-2-enoic acid methyl ester
SpectraBase Compound ID FDrqA2P0HuF
InChI InChI=1S/C12H14O2S/c1-3-10(9-12(13)14-2)15-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9+
InChIKey QLEGSQIRNZGPRT-MDZDMXLPSA-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 JhmgO89Zlke
Name 3-(Phenylsulfanyl)pent-2-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-10(9-12(13)14-2)15-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9+
InChIKey QLEGSQIRNZGPRT-MDZDMXLPSA-N
Molecular Weight 222.302 g/mol
SMILES c1(S\C(=C\C(=O)OC)CC)ccccc1
SPLASH splash10-022a-3920000000-ffdaf5e53a66980641de
Source of Spectrum F4-41-300-2h
Wiley ID 1711672