| SpectraBase Spectrum ID |
Ko5F97g8NuP |
| Name |
2,8-bis(Chloranyl)-5,11-dimethyl-6,12-dihydrobenzo[C][1,5]benzodiazocine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.069053923 u |
| Formula |
C16H16Cl2N2 |
| InChI |
InChI=1S/C16H16Cl2N2/c1-19-9-11-7-14(18)4-6-16(11)20(2)10-12-8-13(17)3-5-15(12)19/h3-8H,9-10H2,1-2H3 |
| InChIKey |
XSTXXDLHNWWMHK-UHFFFAOYSA-N |
| Molecular Weight |
307.224 g/mol |
| SMILES |
C=12N(CC=3C(N(CC2=CC(=CC1)Cl)C)=CC=C(C3)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8996 |
![2,8-bis(Chloranyl)-5,11-dimethyl-6,12-dihydrobenzo[C][1,5]benzodiazocine](/api/spectrum/Ko5F97g8NuP/structure.png?h=300&w=458 "2,8-bis(Chloranyl)-5,11-dimethyl-6,12-dihydrobenzo[C][1,5]benzodiazocine")
