| SpectraBase Spectrum ID |
FV7vFbYZZoW |
| Name |
2-Amino-4-(4-methylphenyl)-(5H)-[1]benzopyrano[4,3-B]pyrane-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.121177761 u |
| Formula |
C20H16N2O2 |
| InChI |
InChI=1S/C20H16N2O2/c1-12-6-8-13(9-7-12)18-15(10-21)20(22)24-19-14-4-2-3-5-17(14)23-11-16(18)19/h2-9,19H,11,22H2,1H3 |
| InChIKey |
UUDTZBQDWHYFNI-UHFFFAOYSA-N |
| Molecular Weight |
316.360 g/mol |
| SMILES |
C12=C(C(C#N)=C(OC2C2=CC=CC=C2OC1)N)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896409 |
![2-Amino-4-(4-methylphenyl)-(5H)-[1]benzopyrano[4,3-b]pyrane-3-carbonitrile](/api/spectrum/FV7vFbYZZoW/structure.png?h=300&w=458 "2-Amino-4-(4-methylphenyl)-(5H)-[1]benzopyrano[4,3-b]pyrane-3-carbonitrile")
