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1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-

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

1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-
SpectraBase Compound ID HCrkaM0KQQx
InChI InChI=1S/C17H16O3/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-9,19H,10-12H2
InChIKey AFNRAZXMXUYAFC-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 5FB4eDDtwWc
Name 1,3-Pentanedione, 1-(2-hydroxyphenyl)-5-phenyl-
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/c18-14(11-10-13-6-2-1-3-7-13)12-17(20)15-8-4-5-9-16(15)19/h1-9,19H,10-12H2
InChIKey AFNRAZXMXUYAFC-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES C(C=1C(O)=CC=CC1)(CC(=O)CCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865744