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3-(Benzo[D][1,3]dioxol-5-yl)-3-hydroxy-1-phenylbutan-2-one

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

3-(Benzo[D][1,3]dioxol-5-yl)-3-hydroxy-1-phenylbutan-2-one
SpectraBase Compound ID 8o0pSPA7hR5
InChI InChI=1S/C17H16O4/c1-17(19,16(18)9-12-5-3-2-4-6-12)13-7-8-14-15(10-13)21-11-20-14/h2-8,10,19H,9,11H2,1H3
InChIKey DCFGKSGKOGVYDZ-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DGhGbvOn8rR
Name 3-(Benzo[D][1,3]dioxol-5-yl)-3-hydroxy-1-phenylbutan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.104858991 u
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-17(19,16(18)9-12-5-3-2-4-6-12)13-7-8-14-15(10-13)21-11-20-14/h2-8,10,19H,9,11H2,1H3
InChIKey DCFGKSGKOGVYDZ-UHFFFAOYSA-N
SMILES CC(O)(C=1C=C2C(=CC1)OCO2)C(=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836262