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7-Methyl-4-phenylcoumarin

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

7-Methyl-4-phenylcoumarin
SpectraBase Compound ID G3FSlDc91p1
InChI InChI=1S/C16H12O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-10H,1H3
InChIKey GRBLXAYEYRGDHX-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BeDUvPSDtr2
Name 7-Methyl-4-phenylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.083729624 u
Formula C16H12O2
InChI InChI=1S/C16H12O2/c1-11-7-8-13-14(12-5-3-2-4-6-12)10-16(17)18-15(13)9-11/h2-10H,1H3
InChIKey GRBLXAYEYRGDHX-UHFFFAOYSA-N
Molecular Weight 236.270 g/mol
SMILES C12=C(OC(C=C2C2=CC=CC=C2)=O)C=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860904