| SpectraBase Spectrum ID |
BuHEPA0PaoQ |
| Name |
(10Bs)-2,5,6,10B-tetrahydro-1H-pyrrolo[2,1-A]isoquinolin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.099714042 u |
| Formula |
C12H13NO |
| InChI |
InChI=1S/C12H13NO/c14-12-6-5-11-10-4-2-1-3-9(10)7-8-13(11)12/h1-4,11H,5-8H2/t11-/m0/s1 |
| InChIKey |
VQYIYWXYWNPTSF-NSHDSACASA-N |
| Molecular Weight |
187.242 g/mol |
| SMILES |
[C@@]12(N(CCC=3C=CC=CC23)C(CC1)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844898 |
![(10bS)-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one](/api/spectrum/BuHEPA0PaoQ/structure.png?h=300&w=458 "(10bS)-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one")
