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2,4-Pentanedione, 3,3-bis(4-methoxyphenyl)-

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

2,4-Pentanedione, 3,3-bis(4-methoxyphenyl)-
SpectraBase Compound ID 5Zt6HTa9ow3
InChI InChI=1S/C19H20O4/c1-13(20)19(14(2)21,15-5-9-17(22-3)10-6-15)16-7-11-18(23-4)12-8-16/h5-12H,1-4H3
InChIKey KOFWWMSKQVFPMJ-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ENEWpNe7RNH
Name 2,4-Pentanedione, 3,3-bis(4-methoxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-13(20)19(14(2)21,15-5-9-17(22-3)10-6-15)16-7-11-18(23-4)12-8-16/h5-12H,1-4H3
InChIKey KOFWWMSKQVFPMJ-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C(C(=O)C)(C(=O)C)(C1=CC=C(C=C1)OC)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910013