| SpectraBase Spectrum ID |
95oL5Vsj0qn |
| Name |
1,2,3,4,4A,5,6,10B-Octahydrophenanthridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.136099551 u |
| Formula |
C13H17N |
| InChI |
InChI=1S/C13H17N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-2,5-6,12-14H,3-4,7-9H2 |
| InChIKey |
IOIJJQSXDIZBEO-UHFFFAOYSA-N |
| Molecular Weight |
187.286 g/mol |
| SMILES |
C12NCC3=C(C2CCCC1)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936623 |
