| SpectraBase Spectrum ID |
b2ytni7VJE |
| Name |
(11As)-8-benzyloxy-7-methoxy-1,2,3,10,11,11A-hexahydro-5H-pyrrolo[2,1-C][1,4]benzodiazepin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.163042573 u |
| Formula |
C20H22N2O3 |
| InChI |
InChI=1S/C20H22N2O3/c1-24-18-10-16-17(21-12-15-8-5-9-22(15)20(16)23)11-19(18)25-13-14-6-3-2-4-7-14/h2-4,6-7,10-11,15,21H,5,8-9,12-13H2,1H3/t15-/m0/s1 |
| InChIKey |
KXZZQBDAAAFIKZ-HNNXBMFYSA-N |
| Molecular Weight |
338.407 g/mol |
| SMILES |
C1NC=2C(C(N3[C@]1(CCC3)[H])=O)=CC(=C(C2)OCC=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858523 |
![(11aS)-8-Benzyloxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one](/api/spectrum/b2ytni7VJE/structure.png?h=300&w=458 "(11aS)-8-Benzyloxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one")
