| SpectraBase Spectrum ID |
K6GPIc5DM9D |
| Name |
(1S,4as,4br,8ar,10As)-1-(iodanylmethyl)-2,4B,8,8,10A-pentamethyl-4,4A,5,6,7,8A,9,10-octahydro-1H-phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.162696063 u |
| Formula |
C20H33I |
| InChI |
InChI=1S/C20H33I/c1-14-7-8-17-19(4,15(14)13-21)12-9-16-18(2,3)10-6-11-20(16,17)5/h7,15-17H,6,8-13H2,1-5H3/t15-,16+,17+,19+,20+/m0/s1 |
| InChIKey |
JZESZVBBECNKHT-AZNNDXHDSA-N |
| Molecular Weight |
400.388 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CI)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849519 |
