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Fumaric acid, monoamide, N-(2-ethylphenyl)-, isopropyl ester

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Fumaric acid, monoamide, N-(2-ethylphenyl)-, isopropyl ester
SpectraBase Compound ID BCsyR93dIVu
InChI InChI=1S/C15H19NO3/c1-4-12-7-5-6-8-13(12)16-14(17)9-10-15(18)19-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)/b10-9+
InChIKey VLCIZJOPVOGLQB-MDZDMXLPSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dvthx6woxST
Name Fumaric acid, monoamide, N-(2-ethylphenyl)-, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-4-12-7-5-6-8-13(12)16-14(17)9-10-15(18)19-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)/b10-9+
InChIKey VLCIZJOPVOGLQB-MDZDMXLPSA-N
Molecular Weight 261.321 g/mol
SMILES CCC=1C(NC(\C=C\C(=O)OC(C)C)=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829497