| SpectraBase Spectrum ID |
7EdsBvpd5pF |
| Name |
5-Acetyl-1,4-dimethyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.106255971 u |
| Formula |
C13H15N3O4 |
| InChI |
InChI=1S/C13H15N3O4/c1-8-6-13(18)14(3)11-5-4-10(16(19)20)7-12(11)15(8)9(2)17/h4-5,7-8H,6H2,1-3H3 |
| InChIKey |
ARCJUCXFVYZSFZ-UHFFFAOYSA-N |
| Molecular Weight |
277.280 g/mol |
| SMILES |
C1(N(C=2C(N(C(C1)C)C(=O)C)=CC(=CC2)N(=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918834 |
