| SpectraBase Spectrum ID |
FDcKVCa3oLj |
| Name |
3,4,5,6,7,8-hexahydro-4-methyl-3-(4-nitrophenyl)-1,2,3-triazolo[4,5-b]azepin |
| CAS Registry Number |
104739-43-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15N5O2 |
| InChI |
InChI=1S/C13H15N5O2/c1-16-9-3-2-4-12-13(16)17(15-14-12)10-5-7-11(8-6-10)18(19)20/h5-8H,2-4,9H2,1H3 |
| InChIKey |
QTHLHXHOBTUAQL-UHFFFAOYSA-N |
| Molecular Weight |
273.296 g/mol |
| SMILES |
c12[n](nnc2CCCCN1C)-c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-014i-9100000000-ebdb1999879a96465a40 |
| Source of Spectrum |
K-119-3597-8 |
| Synonyms |
4-Methyl-3-(4-nitrophenyl)-3,4,5,6,7,8-hexahydro[1,2,3]triazolo[4,5-b]azepine |
| Wiley ID |
1277089 |
![3,4,5,6,7,8-hexahydro-4-methyl-3-(4-nitrophenyl)-1,2,3-triazolo[4,5-b]azepin](/api/spectrum/FDcKVCa3oLj/structure.png?h=300&w=458 "3,4,5,6,7,8-hexahydro-4-methyl-3-(4-nitrophenyl)-1,2,3-triazolo[4,5-b]azepin")
