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7-methoxy-2-oxo-4-phenyl-2H-1-benzopyran-3-carbonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

7-methoxy-2-oxo-4-phenyl-2H-1-benzopyran-3-carbonitrile
SpectraBase Compound ID 5h5embe1xVx
InChI InChI=1S/C17H11NO3/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey RJJBCBPFFQKAJD-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C17H11NO3
Exact Mass 277.073893 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID J2W5reg3kBQ
Name 7-Methoxy-2-oxo-4-phenyl-2H-1-benzopyran-3-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.073893215 u
Formula C17H11NO3
InChI InChI=1S/C17H11NO3/c1-20-12-7-8-13-15(9-12)21-17(19)14(10-18)16(13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey RJJBCBPFFQKAJD-UHFFFAOYSA-N
SMILES C=12C=CC(=CC1OC(C(=C2C=1C=CC=CC1)C#N)=O)OC
Spectrum/Structure Validation Score (Raman) 0.974104