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Ethyl 2-cyano-3-phenyl-3-(heptylthio)propenoate
SpectraBase Compound ID CLwkYwS7ZO
InChI InChI=1S/C19H25NO2S/c1-3-5-6-7-11-14-23-18(16-12-9-8-10-13-16)17(15-20)19(21)22-4-2/h8-10,12-13H,3-7,11,14H2,1-2H3/b18-17+
InChIKey YBVCYNACIWLTIV-ISLYRVAYSA-N
Mol Weight 331.47 g/mol
Molecular Formula C19H25NO2S
Exact Mass 331.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qeB5irbS1L
Name Ethyl 2-cyano-3-phenyl-3-(heptylthio)propenoate
Alternate Name(s) Ethyl (2E)-2-cyano-3-(heptylsulfanyl)-3-phenyl-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO2S
InChI InChI=1S/C19H25NO2S/c1-3-5-6-7-11-14-23-18(16-12-9-8-10-13-16)17(15-20)19(21)22-4-2/h8-10,12-13H,3-7,11,14H2,1-2H3/b18-17+
InChIKey YBVCYNACIWLTIV-ISLYRVAYSA-N
Molecular Weight 331.474 g/mol
SMILES c1(\C(=C/(C(=O)OCC)C#N)SCCCCCCC)ccccc1
SPLASH splash10-06yk-2292000000-8ae842b18dff52f66d6f
Source of Spectrum SB-49-897-12
Wiley ID 1328738