| SpectraBase Spectrum ID |
G75SEbtEt7w |
| Name |
5-Methyl-6-phenyl-1,2,5,6,10,11-hexahydrocyclopenta[kl]pyrrolo[2,1-A]isoquinolin-3(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.162314299 u |
| Formula |
C21H21NO |
| InChI |
InChI=1S/C21H21NO/c1-14-19(15-6-3-2-4-7-15)17-9-5-8-16-10-12-21(20(16)17)13-11-18(23)22(14)21/h2-9,14,19H,10-13H2,1H3/t14-,19+,21-/m0/s1 |
| InChIKey |
QKXCBULCSSSFJC-ZKYUUJBMSA-N |
| Molecular Weight |
303.405 g/mol |
| SMILES |
[C@@]123N([C@](C)([H])[C@@](C4=C3C(=CC=C4)CC2)(C=2C=CC=CC2)[H])C(=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931288 |
![5-Methyl-6-phenyl-1,2,5,6,10,11-hexahydrocyclopenta[kl]pyrrolo[2,1-a]isoquinolin-3(3H)-one](/api/spectrum/G75SEbtEt7w/structure.png?h=300&w=458 "5-Methyl-6-phenyl-1,2,5,6,10,11-hexahydrocyclopenta[kl]pyrrolo[2,1-a]isoquinolin-3(3H)-one")
