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Methyl 2-phenylmethylinden-3-one-1-carboxylate

View entire compound with spectra: 1 FTIR

Methyl 2-phenylmethylinden-3-one-1-carboxylate
SpectraBase Compound ID 1KxijT2WHeP
InChI InChI=1S/C18H14O3/c1-21-18(20)16-13-9-5-6-10-14(13)17(19)15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey PWZMVENFLPGYRV-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C18H14O3
Exact Mass 278.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AW6ZaFPWdK9
Name Methyl 2-phenylmethylinden-3-one-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.094294308 u
Formula C18H14O3
InChI InChI=1S/C18H14O3/c1-21-18(20)16-13-9-5-6-10-14(13)17(19)15(16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey PWZMVENFLPGYRV-UHFFFAOYSA-N
Molecular Weight 278.307 g/mol
SMILES C12=C(C=CC=C2)C(=O)C(=C1C(=O)OC)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936588