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Methyl 3-oxo-2-(3'-benzoyl)phenylbutanoate

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

Methyl 3-oxo-2-(3'-benzoyl)phenylbutanoate
SpectraBase Compound ID DSqVnS0ypH1
InChI InChI=1S/C18H16O4/c1-12(19)16(18(21)22-2)14-9-6-10-15(11-14)17(20)13-7-4-3-5-8-13/h3-11,16H,1-2H3
InChIKey NXNIGSJVVDIKGY-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FnAwF5t7NN0
Name Methyl 3-oxo-2-(3'-benzoyl)phenylbutanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.104858991 u
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-12(19)16(18(21)22-2)14-9-6-10-15(11-14)17(20)13-7-4-3-5-8-13/h3-11,16H,1-2H3
InChIKey NXNIGSJVVDIKGY-UHFFFAOYSA-N
SMILES C(C=1C=C(C(=O)C=2C=CC=CC2)C=CC1)(C(=O)OC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922101