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1-Benzoyloxy-2-oxo-3-(3,4-dimethoxyphenyll)propane

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

1-Benzoyloxy-2-oxo-3-(3,4-dimethoxyphenyll)propane
SpectraBase Compound ID L2raPxiwe6S
InChI InChI=1S/C18H18O5/c1-21-16-9-8-13(11-17(16)22-2)10-15(19)12-23-18(20)14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3
InChIKey KYMVAHDEQPSIDJ-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 KyXgPwDcgm9
Name 1-Benzoyloxy-2-oxo-3-(3,4-dimethoxyphenyll)propane
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)10-15(19)12-23-18(20)14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3
InChIKey KYMVAHDEQPSIDJ-UHFFFAOYSA-N
Molecular Weight 314.337 g/mol
SMILES C(OCC(=O)CC=1C=C(OC)C(=CC1)OC)(=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970923