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Dimethyl 2-(3'-benzoyl)phenylpropanedioate

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

Dimethyl 2-(3'-benzoyl)phenylpropanedioate
SpectraBase Compound ID AMJnGKmFFRi
InChI InChI=1S/C18H16O5/c1-22-17(20)15(18(21)23-2)13-9-6-10-14(11-13)16(19)12-7-4-3-5-8-12/h3-11,15H,1-2H3
InChIKey HMOGVKXTHSYRTG-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6T4CD32qr4H
Name Dimethyl 2-(3'-benzoyl)phenylpropanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-22-17(20)15(18(21)23-2)13-9-6-10-14(11-13)16(19)12-7-4-3-5-8-12/h3-11,15H,1-2H3
InChIKey HMOGVKXTHSYRTG-UHFFFAOYSA-N
SMILES C(C=1C=C(C(=O)C2=CC=CC=C2)C=CC1)(C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967677