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Ethyl 3-cyano-2-[2-(ethoxycarbonyl)allyl]benzoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Ethyl 3-cyano-2-[2-(ethoxycarbonyl)allyl]benzoate
SpectraBase Compound ID 2PkmAjbp904
InChI InChI=1S/C16H17NO4/c1-4-20-15(18)11(3)9-14-12(10-17)7-6-8-13(14)16(19)21-5-2/h6-8H,3-5,9H2,1-2H3
InChIKey HYYJWCYDETZBLP-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DjM7QqIKdog
Name Ethyl 3-cyano-2-[2-(ethoxycarbonyl)allyl]benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.115758027 u
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-4-20-15(18)11(3)9-14-12(10-17)7-6-8-13(14)16(19)21-5-2/h6-8H,3-5,9H2,1-2H3
InChIKey HYYJWCYDETZBLP-UHFFFAOYSA-N
SMILES C=1(CC(C(=O)OCC)=C)C(C(=O)OCC)=CC=CC1C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875583