| SpectraBase Spectrum ID |
28KtP7Tpi42 |
| Name |
1,2-Dihydro-1,2-dimethyl-3-(3-nitrophenyl)-6-phenyl-1,2,4,5-tetrazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.122574741 u |
| Formula |
C16H15N5O2 |
| InChI |
InChI=1S/C16H15N5O2/c1-19-15(12-7-4-3-5-8-12)17-18-16(20(19)2)13-9-6-10-14(11-13)21(22)23/h3-11H,1-2H3 |
| InChIKey |
BXIMMHVOIODEAE-UHFFFAOYSA-N |
| Molecular Weight |
309.329 g/mol |
| SMILES |
C=1(N(N(C(=NN1)C=1C=CC=CC1)C)C)C=1C=C(C=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914068 |
