| SpectraBase Spectrum ID |
K0IecGv6IXI |
| Name |
2,5,7,7-Tetraphenyl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.178298716 u |
| Formula |
C29H22N2 |
| InChI |
InChI=1S/C29H22N2/c1-5-13-21(14-6-1)27-25-26(28(31-30-27)22-15-7-2-8-16-22)29(25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H |
| InChIKey |
KUCKZHACFQGZHM-UHFFFAOYSA-N |
| Molecular Weight |
398.509 g/mol |
| SMILES |
C1(C2C(=NN=C(C12)C=1C=CC=CC1)C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972022 |
![2,5,7,7-Tetraphenyl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene](/api/spectrum/K0IecGv6IXI/structure.png?h=300&w=458 "2,5,7,7-Tetraphenyl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene")
