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Phenprocoumon ac P1044

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

Phenprocoumon ac P1044
SpectraBase Compound ID 4ejscDBRuwn
InChI InChI=1S/C20H18O4/c1-3-15(14-9-5-4-6-10-14)18-19(23-13(2)21)16-11-7-8-12-17(16)24-20(18)22/h4-12,15H,3H2,1-2H3
InChIKey PIXJYZOZKZCLBP-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7ibzAnkmhvH
Name Phenprocoumon ac P1044
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.120509056 u
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-3-15(14-9-5-4-6-10-14)18-19(23-13(2)21)16-11-7-8-12-17(16)24-20(18)22/h4-12,15H,3H2,1-2H3
InChIKey PIXJYZOZKZCLBP-UHFFFAOYSA-N
Molecular Weight 322.360 g/mol
SMILES C1=2C(OC(C)=O)=C(C(OC1=CC=CC2)=O)C(CC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975667