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2,4-Pentadienoic acid, 2-cyano-5-phenyl-5-thiocyanato-, ethyl ester, (Z,Z)-
SpectraBase Compound ID 96LEdKw0TuZ
InChI InChI=1S/C15H12N2O2S/c1-2-19-15(18)13(10-16)8-9-14(20-11-17)12-6-4-3-5-7-12/h3-9H,2H2,1H3/b13-8-,14-9-
InChIKey TZLVQFBPEIHZSW-QKPPEBSVSA-N
Mol Weight 284.33 g/mol
Molecular Formula C15H12N2O2S
Exact Mass 284.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KVWDWQIvJa
Name 2,4-Pentadienoic acid, 2-cyano-5-phenyl-5-thiocyanato-, ethyl ester, (Z,Z)-
CAS Registry Number 111278-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2O2S
InChI InChI=1S/C15H12N2O2S/c1-2-19-15(18)13(10-16)8-9-14(20-11-17)12-6-4-3-5-7-12/h3-9H,2H2,1H3/b13-8-,14-9-
InChIKey TZLVQFBPEIHZSW-QKPPEBSVSA-N
Molecular Weight 284.333 g/mol
SMILES C(S\C(=C/C=C\(C(=O)OCC)C#N)c1ccccc1)#N
SPLASH splash10-0002-0910000000-f0103c17bf4571a00cf2
Source of Spectrum O-22-129-3
Synonyms 2-Cyano-5-phenyl-5-thiocyanatopenta-2,4-dienoic acid ethyl ester Ethyl (2Z,4Z)-2-cyano-5-(cyanosulfanyl)-5-phenyl-2,4-pentadienoate
Wiley ID 1287701