| SpectraBase Spectrum ID |
3Zr8LOz665r |
| Name |
11-Methoxy-1,2,3,11A-tetrahydrobenzo[E]pyrrolo[1,2-A]diazepin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.105527697 u |
| Formula |
C13H14N2O2 |
| InChI |
InChI=1S/C13H14N2O2/c1-17-12-11-7-4-8-15(11)13(16)9-5-2-3-6-10(9)14-12/h2-3,5-6,11H,4,7-8H2,1H3/t11-/m1/s1 |
| InChIKey |
LGZJCDHMHYDBMH-LLVKDONJSA-N |
| Molecular Weight |
230.267 g/mol |
| SMILES |
C1(N2[C@@](C(OC)=NC=3C1=CC=CC3)(CCC2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914493 |
![11-Methoxy-1,2,3,11a-tetrahydrobenzo[e]pyrrolo[1,2-a]diazepin-5-one](/api/spectrum/3Zr8LOz665r/structure.png?h=300&w=458 "11-Methoxy-1,2,3,11a-tetrahydrobenzo[e]pyrrolo[1,2-a]diazepin-5-one")
