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3-(2-Carbomethoxyphenylmercapto)-acrolein
SpectraBase Compound ID 2N0wpoS8rAd
InChI InChI=1S/C11H10O3S/c1-14-11(13)9-5-2-3-6-10(9)15-8-4-7-12/h2-8H,1H3
InChIKey DPOFKFJEKUNBII-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3sYge0GLhb
Name 3-(2-Carbomethoxyphenylmercapto)-acrolein
Alternate Name(s) Methyl 2-((3-oxoprop-1-en-1-yl)thio)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-14-11(13)9-5-2-3-6-10(9)15-8-4-7-12/h2-8H,1H3
InChIKey DPOFKFJEKUNBII-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19773190630
Molecular Weight 222.258 g/mol
SMILES C(=O)C=CSc1c(cccc1)C(=O)OC
SPLASH splash10-0bt9-6910000000-50fb62ca8a25ee94c903
Source of Spectrum JF-319-1045-7
Wiley ID 1791268