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4-(Benzyloxy)-1-phenyl-1,2-butanedione

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

4-(Benzyloxy)-1-phenyl-1,2-butanedione
SpectraBase Compound ID Fd0DN3yl8Ct
InChI InChI=1S/C17H16O3/c18-16(17(19)15-9-5-2-6-10-15)11-12-20-13-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKey IEOBKJIPLOTMAR-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LueUxbxwakU
Name 4-(Benzyloxy)-1-phenyl-1,2-butanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.109944372 u
Formula C17H16O3
InChI InChI=1S/C17H16O3/c18-16(17(19)15-9-5-2-6-10-15)11-12-20-13-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKey IEOBKJIPLOTMAR-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES C(C(CCOCC=1C=CC=CC1)=O)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911979