| SpectraBase Spectrum ID |
Jxlkj98Rkkf |
| Name |
(4S)-5-Acetyl-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.106255971 u |
| Formula |
C17H15N3O4 |
| InChI |
InChI=1S/C17H15N3O4/c1-11(21)19-15-5-3-2-4-14(15)18-17(22)10-16(19)12-6-8-13(9-7-12)20(23)24/h2-9,16H,10H2,1H3,(H,18,22)/t16-/m0/s1 |
| InChIKey |
CSJAJMCLCVCFSE-INIZCTEOSA-N |
| Molecular Weight |
325.324 g/mol |
| SMILES |
C1=CC=C2N(C(=O)C)[C@](C3=CC=C(C=C3)[N+](=O)[O-])(CC(=O)NC2=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856492 |
![(4S)-5-Acetyl-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one](/api/spectrum/Jxlkj98Rkkf/structure.png?h=300&w=458 "(4S)-5-Acetyl-4-(4-nitrophenyl)-4,5-dihydro-1H-[1,5]benzodiazepin-2(3H)-one")
