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2-Propenethioic acid, 2-cyano-3-phenyl-, O-methyl ester, (E)-
SpectraBase Compound ID 23jxmg9946E
InChI InChI=1S/C11H9NOS/c1-13-11(14)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKey BOLGLVDTNWXCJU-JXMROGBWSA-N
Mol Weight 203.26 g/mol
Molecular Formula C11H9NOS
Exact Mass 203.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlbIcwbj0Xd
Name 2-Propenethioic acid, 2-cyano-3-phenyl-, O-methyl ester, (E)-
Alternate Name(s) O-methyl (2E)-2-cyano-3-phenyl-2-propenethioate O-methyl (E)-2-cyano-3-phenyl-2-propenethioate
CAS Registry Number 80095-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NOS
InChI InChI=1S/C11H9NOS/c1-13-11(14)10(8-12)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKey BOLGLVDTNWXCJU-JXMROGBWSA-N
Molecular Weight 203.259 g/mol
SMILES C(\C(=C\c1ccccc1)C#N)(=S)OC
SPLASH splash10-0udi-0390000000-9b7783fdba3cbd478daa
Source of Spectrum SB-35-244-0
Wiley ID 1200732