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1,4-Pentanedione, 1-[2-(acetyloxy)phenyl]-3-phenyl-
SpectraBase Compound ID 2R2sxugetAu
InChI InChI=1S/C19H18O4/c1-13(20)17(15-8-4-3-5-9-15)12-18(22)16-10-6-7-11-19(16)23-14(2)21/h3-11,17H,12H2,1-2H3
InChIKey MZUCZWAATDDKFV-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C19H18O4
Exact Mass 310.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EBahmOY0Jsk
Name 1,4-Pentanedione, 1-[2-(acetyloxy)phenyl]-3-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.120509056 u
Formula C19H18O4
InChI InChI=1S/C19H18O4/c1-13(20)17(15-8-4-3-5-9-15)12-18(22)16-10-6-7-11-19(16)23-14(2)21/h3-11,17H,12H2,1-2H3
InChIKey MZUCZWAATDDKFV-UHFFFAOYSA-N
Molecular Weight 310.349 g/mol
SMILES C(C=1C(OC(=O)C)=CC=CC1)(CC(C(=O)C)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859228