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4-[[(E)-but-2-enyl]thio]benzoic acid methyl ester
SpectraBase Compound ID A5ZW90OocRC
InChI InChI=1S/C12H14O2S/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h3-8H,9H2,1-2H3/b4-3+
InChIKey MBAMMEGWZDIRKE-ONEGZZNKSA-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 Bkd7MWK9lv4
Name 4-[[(E)-but-2-enyl]thio]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h3-8H,9H2,1-2H3/b4-3+
InChIKey MBAMMEGWZDIRKE-ONEGZZNKSA-N
Molecular Weight 222.302 g/mol
SMILES c1(SC\C=C\C)ccc(cc1)C(=O)OC
SPLASH splash10-00di-0390000000-7583ff87d5d6e23afb02
Source of Spectrum AJ-70-455-0
Synonyms Methyl 4-[(E)-but-2-enyl]sulfanylbenzoate
Wiley ID 773985