| SpectraBase Spectrum ID |
GBn8vDRoPnW |
| Name |
1-(Tert-butylamino)-2-((3R,5R,8R,8ar)-3,8-dimethyl-1,2,3,5,6,7,8,8A-octahydroazulen-5-yl)propan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.271864750 u |
| Formula |
C19H35NO |
| InChI |
InChI=1S/C19H35NO/c1-13-7-9-15(11-17-14(2)8-10-16(13)17)19(6,21)12-20-18(3,4)5/h11,13-16,20-21H,7-10,12H2,1-6H3/t13-,14-,15-,16-,19?/m1/s1 |
| InChIKey |
ZFFXHCYXUHXCAC-KPHXGZOSSA-N |
| SMILES |
[C@@]1(CC[C@@]2([C@@](CC[C@](C=C12)(C(CNC(C)(C)C)(C)O)[H])(C)[H])[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954459 |
