| SpectraBase Spectrum ID |
3PZ36L1ypXO |
| Name |
(4as,8as)-8-(2-Iodanylethyl)-4,4,7,8A-tetramethyl-1,2,3,4A,5,6-hexahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.115745869 u |
| Formula |
C16H27I |
| InChI |
InChI=1S/C16H27I/c1-12-6-7-14-15(2,3)9-5-10-16(14,4)13(12)8-11-17/h14H,5-11H2,1-4H3/t14-,16+/m0/s1 |
| InChIKey |
MGWLXWQQKCJIGO-GOEBONIOSA-N |
| Molecular Weight |
346.296 g/mol |
| SMILES |
[C@@]12(C(=C(C)CC[C@]2(C(C)(C)CCC1)[H])CCI)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866714 |
