| SpectraBase Spectrum ID |
7jRexT3NsF1 |
| Name |
7-Isopropyl-6-methoxy-1,1-dimethyl-1,2,3,4,4A,9,10,10A-octahydrophenanthrene-4A-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.224914557 u |
| Formula |
C21H29NO |
| InChI |
InChI=1S/C21H29NO/c1-14(2)16-11-15-7-8-19-20(3,4)9-6-10-21(19,13-22)17(15)12-18(16)23-5/h11-12,14,19H,6-10H2,1-5H3/t19-,21+/m0/s1 |
| InChIKey |
OLZITNGURBDAGF-PZJWPPBQSA-N |
| Molecular Weight |
311.469 g/mol |
| SMILES |
[C@@]12(C3=C(C=C(C(=C3)OC)C(C)C)CC[C@]1(C(C)(C)CCC2)[H])C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813706 |
