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Dimethyl .beta.-benzyl-.alpha.-methylenesuccinate

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

Dimethyl .beta.-benzyl-.alpha.-methylenesuccinate
SpectraBase Compound ID Euq07pidVNd
InChI InChI=1S/C14H16O4/c1-10(13(15)17-2)12(14(16)18-3)9-11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKey JBMPFLITFDFYSZ-UHFFFAOYSA-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 4aSa4fVGvFT
Name Dimethyl .beta.-benzyl-.alpha.-methylenesuccinate
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/c1-10(13(15)17-2)12(14(16)18-3)9-11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3
InChIKey JBMPFLITFDFYSZ-UHFFFAOYSA-N
Molecular Weight 248.278 g/mol
SMILES C(C(C(=O)OC)CC=1C=CC=CC1)(C(=O)OC)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93789