| SpectraBase Spectrum ID |
AKYmOz2R1Bl |
| Name |
4-(4-Methoxyphenyl)-2-oxo-2H-benzo[H]chromene-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.089543280 u |
| Formula |
C21H13NO3 |
| InChI |
InChI=1S/C21H13NO3/c1-24-15-9-6-14(7-10-15)19-17-11-8-13-4-2-3-5-16(13)20(17)25-21(23)18(19)12-22/h2-11H,1H3 |
| InChIKey |
QFIWBVUBKFIDLW-UHFFFAOYSA-N |
| Molecular Weight |
327.339 g/mol |
| SMILES |
C1=CC=C2C(C3=C(C=C2)C(C=2C=CC(=CC2)OC)=C(C(O3)=O)C#N)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90729 |
![4-(4-Methoxyphenyl)-2-oxo-2H-benzo[H]chromene-3-carbonitrile](/api/spectrum/AKYmOz2R1Bl/structure.png?h=300&w=458 "4-(4-Methoxyphenyl)-2-oxo-2H-benzo[H]chromene-3-carbonitrile")
