| SpectraBase Spectrum ID |
FUqY7BsdBFG |
| Name |
(2-Iodanyl-3-oxidanylidene-cyclohexen-1-yl)methyl 2,2-dimethylpropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.022239404 u |
| Formula |
C12H17IO3 |
| InChI |
InChI=1S/C12H17IO3/c1-12(2,3)11(15)16-7-8-5-4-6-9(14)10(8)13/h4-7H2,1-3H3 |
| InChIKey |
SQBCLQDVQCEFJV-UHFFFAOYSA-N |
| Molecular Weight |
336.169 g/mol |
| SMILES |
C1(=C(COC(C(C)(C)C)=O)CCCC1=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957411 |
