| SpectraBase Spectrum ID |
6rMjXEf2bW3 |
| Name |
4-Iodo-3A,7,7-trimethyloctahydroindan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.048060231 u |
| Formula |
C12H19IO |
| InChI |
InChI=1S/C12H19IO/c1-11(2)5-4-10(13)12(3)7-8(14)6-9(11)12/h9-10H,4-7H2,1-3H3/t9?,10-,12-/m1/s1 |
| InChIKey |
RYGLGIWDJUZJKP-GTFYECCDSA-N |
| Molecular Weight |
306.187 g/mol |
| SMILES |
[C@@]12(C(C(C)(C)CC[C@]2(I)[H])CC(C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950155 |
