| SpectraBase Spectrum ID |
2zwj1RkWnKh |
| Name |
2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H-pyrido[3,2,1-I,j]-(1,3a,6)-triazaazulene-3,11-dione |
| Alternate Name(s) |
5-methyl-3,6-dioxo-1,2,6,7,8,9-hexahydro-3H-2a,7,9a-triazabenzo[cd]azulene-4-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N4O2 |
| InChI |
InChI=1S/C12H12N4O2/c1-7-8(6-13)12(18)16-5-4-15-3-2-14-10(17)9(7)11(15)16/h2-5H2,1H3,(H,14,17) |
| InChIKey |
IEHKBRDMVQAQGL-UHFFFAOYSA-N |
| Molecular Weight |
244.254 g/mol |
| SMILES |
N1CCN2CCN3C2=C(C1=O)C(=C(C3=O)C#N)C |
| SPLASH |
splash10-0006-0090000000-1bf7fe77a392dd65bb7d |
| Source of Spectrum |
Y-31-396-8 |
| Wiley ID |
761371 |
![2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H-pyrido[3,2,1-I,j]-(1,3a,6)-triazaazulene-3,11-dione](/api/spectrum/2zwj1RkWnKh/structure.png?h=300&w=458 "2-Cyano-1-methyl-5,6,8,9,10,11-hexahydro-3H-pyrido[3,2,1-I,j]-(1,3a,6)-triazaazulene-3,11-dione")
