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2-(1-Naphthalenylmethylidene)propanedioic acid diethyl ester

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

2-(1-Naphthalenylmethylidene)propanedioic acid diethyl ester
SpectraBase Compound ID JhoAzXu2cdA
InChI InChI=1S/C18H18O4/c1-3-21-17(19)16(18(20)22-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-12H,3-4H2,1-2H3
InChIKey AFBQSUUVVNVVTR-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7wpJMOjIogJ
Name 2-(1-Naphthalenylmethylidene)propanedioic acid diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-3-21-17(19)16(18(20)22-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-12H,3-4H2,1-2H3
InChIKey AFBQSUUVVNVVTR-UHFFFAOYSA-N
SMILES C(=CC1=C2C(C=CC=C2)=CC=C1)(C(=O)OCC)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962709