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Benzyl propyl maleate

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

Benzyl propyl maleate
SpectraBase Compound ID ADuzHJDOyAt
InChI InChI=1S/C14H16O4/c1-2-10-17-13(15)8-9-14(16)18-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/b9-8-
InChIKey TUUDYDFBLHAVBV-HJWRWDBZSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HqHNi99I89c
Name Benzyl propyl maleate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.104858991 u
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-10-17-13(15)8-9-14(16)18-11-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3/b9-8-
InChIKey TUUDYDFBLHAVBV-HJWRWDBZSA-N
Molecular Weight 248.278 g/mol
SMILES CCCOC(=O)\C=C/C(=O)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911916