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4-Cyano-2-(2-ethoxycarbonyl-allyl)-benzoic acid ethyl ester
SpectraBase Compound ID FvQEOqQ6L5g
InChI InChI=1S/C16H17NO4/c1-4-20-15(18)11(3)8-13-9-12(10-17)6-7-14(13)16(19)21-5-2/h6-7,9H,3-5,8H2,1-2H3
InChIKey XFCSATRREFYGJC-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKg2bN0KT2l
Name 4-Cyano-2-(2-ethoxycarbonyl-allyl)-benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-4-20-15(18)11(3)8-13-9-12(10-17)6-7-14(13)16(19)21-5-2/h6-7,9H,3-5,8H2,1-2H3
InChIKey XFCSATRREFYGJC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802118e
Molecular Weight 287.315 g/mol
SMILES c1c(c(CC(C(OCC)=O)=C)cc(c1)C#N)C(OCC)=O
SPLASH splash10-00rf-0930000000-fab5fad52d0767c029b4
Source of Spectrum A1-10-4705/SM6-4f
Synonyms Ethyl 4-cyano-2-(2-(ethoxycarbonyl)allyl)benzoate
Wiley ID 1760020