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Methyl 2-(3',4'-dimethoxybenzoylmethyl)benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Methyl 2-(3',4'-dimethoxybenzoylmethyl)benzoate
SpectraBase Compound ID FnDE6rtzN0
InChI InChI=1S/C18H18O5/c1-21-16-9-8-13(11-17(16)22-2)15(19)10-12-6-4-5-7-14(12)18(20)23-3/h4-9,11H,10H2,1-3H3
InChIKey AMJSONMHFVPVDW-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KdyDRNwC9CU
Name Methyl 2-(3',4'-dimethoxybenzoylmethyl)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.115423675 u
Formula C18H18O5
InChI InChI=1S/C18H18O5/c1-21-16-9-8-13(11-17(16)22-2)15(19)10-12-6-4-5-7-14(12)18(20)23-3/h4-9,11H,10H2,1-3H3
InChIKey AMJSONMHFVPVDW-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C=1C=C(C(C(=O)OC)=CC1)CC(C1=CC(=C(C=C1)OC)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941345