| SpectraBase Spectrum ID |
CEqoCLXNhFC |
| Name |
Cyclopropanecarboxylic acid, (6-isopropyl-1,4A-dimethyl-1,2,3,4,4A,9,10,10A-octahydrophenanthren-1-ylmethyl)amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.271864750 u |
| Formula |
C24H35NO |
| InChI |
InChI=1S/C24H35NO/c1-16(2)19-9-6-17-10-11-21-23(3,15-25-22(26)18-7-8-18)12-5-13-24(21,4)20(17)14-19/h6,9,14,16,18,21H,5,7-8,10-13,15H2,1-4H3,(H,25,26) |
| InChIKey |
MYJYYQOEZZKMCH-UHFFFAOYSA-N |
| Molecular Weight |
353.550 g/mol |
| SMILES |
C1CC(C)(CNC(C2CC2)=O)C2C(C1)(C1=CC(C(C)C)=CC=C1CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804416 |
