| SpectraBase Spectrum ID |
7HPXe3G0WY3 |
| Name |
2H-Naphth[2',1':2,3]oxepino[4,5-C]pyrazole, 3,3A,4,5-tetrahydro-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.141913207 u |
| Formula |
C21H18N2O |
| InChI |
InChI=1S/C21H18N2O/c1-2-7-17(8-3-1)23-14-16-12-13-24-19-11-10-15-6-4-5-9-18(15)20(19)21(16)22-23/h1-11,16H,12-14H2 |
| InChIKey |
MYWHUXRBYLXBLM-UHFFFAOYSA-N |
| Molecular Weight |
314.388 g/mol |
| SMILES |
C12=NN(CC1CCOC1=CC=C3C(=C21)C=CC=C3)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891696 |
![2H-Naphth[2',1':2,3]oxepino[4,5-c]pyrazole, 3,3a,4,5-tetrahydro-2-phenyl-](/api/spectrum/7HPXe3G0WY3/structure.png?h=300&w=458 "2H-Naphth[2',1':2,3]oxepino[4,5-c]pyrazole, 3,3a,4,5-tetrahydro-2-phenyl-")
