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3-Cyano-4-ethyl-1-(p-toluenesulfonyl)hexa-2,4-diene
SpectraBase Compound ID 9Bm7t73mWnO
InChI InChI=1S/C16H19NO2S/c1-4-14(5-2)15(12-17)10-11-20(18,19)16-8-6-13(3)7-9-16/h4,6-10H,5,11H2,1-3H3/b14-4+,15-10+
InChIKey FBTFUZOBBLVDGE-BPOZDUHHSA-N
Mol Weight 289.39 g/mol
Molecular Formula C16H19NO2S
Exact Mass 289.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nExIV4922b
Name 3-Cyano-4-ethyl-1-(p-toluenesulfonyl)hexa-2,4-diene
Alternate Name(s) (2Z,3E)-3-ethyl-2-{2-[(4-methylphenyl)sulfonyl]ethylidene}-3-pentenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2S
InChI InChI=1S/C16H19NO2S/c1-4-14(5-2)15(12-17)10-11-20(18,19)16-8-6-13(3)7-9-16/h4,6-10H,5,11H2,1-3H3/b14-4+,15-10+
InChIKey FBTFUZOBBLVDGE-BPOZDUHHSA-N
Molecular Weight 289.393 g/mol
SMILES C(\C=C\(\C(=C\C)CC)C#N)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-001i-0900000000-71136b7593de79c2cc9b
Source of Spectrum SO-0-966-3
Wiley ID 1538752