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7-Hydroxy-4-phenylcoumarin, trimethylacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

7-Hydroxy-4-phenylcoumarin, trimethylacetate
SpectraBase Compound ID D9dA9cubudt
InChI InChI=1S/C20H18O4/c1-20(2,3)19(22)23-14-9-10-15-16(13-7-5-4-6-8-13)12-18(21)24-17(15)11-14/h4-12H,1-3H3
InChIKey HPLJDRGWDSMVFH-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 G1CQG9XfrW9
Name 7-Hydroxy-4-phenylcoumarin, trimethylacetate
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/c1-20(2,3)19(22)23-14-9-10-15-16(13-7-5-4-6-8-13)12-18(21)24-17(15)11-14/h4-12H,1-3H3
InChIKey HPLJDRGWDSMVFH-UHFFFAOYSA-N
Molecular Weight 322.360 g/mol
SMILES C1=2OC(C=C(C2C=CC(=C1)OC(C(C)(C)C)=O)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931647