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Dimethyl 2-[(benzylidene)methyl]pentane-1,5-dioate

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

Dimethyl 2-[(benzylidene)methyl]pentane-1,5-dioate
SpectraBase Compound ID 7SCfWqbTDNa
InChI InChI=1S/C15H18O4/c1-18-14(16)11-10-13(15(17)19-2)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+
InChIKey VWKQISMHUXSITJ-CMDGGOBGSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JNvrEnlaioI
Name Dimethyl 2-[(benzylidene)methyl]pentane-1,5-dioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.120509056 u
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-18-14(16)11-10-13(15(17)19-2)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+
InChIKey VWKQISMHUXSITJ-CMDGGOBGSA-N
Molecular Weight 262.305 g/mol
SMILES C(C(CCC(=O)OC)\C=C\C=1C=CC=CC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967908