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2-Propenedithioic acid, 3-(4-cyanophenyl)-3-hydroxy-
SpectraBase Compound ID LI74YUq6US3
InChI InChI=1S/C10H7NOS2/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-5,12H,(H,13,14)/b9-5-
InChIKey BNNPXADRXQRLGT-UITAMQMPSA-N
Mol Weight 221.29 g/mol
Molecular Formula C10H7NOS2
Exact Mass 220.996906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1t6WHc1x0LL
Name 2-Propenedithioic acid, 3-(4-cyanophenyl)-3-hydroxy-
CAS Registry Number 54965-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NOS2
InChI InChI=1S/C10H7NOS2/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-5,12H,(H,13,14)/b9-5-
InChIKey BNNPXADRXQRLGT-UITAMQMPSA-N
Molecular Weight 221.292 g/mol
SMILES O\C(=C/C(=S)S)c1ccc(C#N)cc1
SPLASH splash10-0f89-0900000000-175ec486fd9310f50a78
Source of Spectrum F-28-5349-6
Synonyms (2Z)-3-(4-cyanophenyl)-3-hydroxy-2-propenedithioic acid 4-Cyanate-.beta.-hydroxydithiocinnamic acid
Wiley ID 1221069