| SpectraBase Spectrum ID |
DclfGcaqcgU |
| Name |
Cyclohexane carboxylic acid, 4-iodo-trans-2-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.027324785 u |
| Formula |
C10H17IO2 |
| InChI |
InChI=1S/C10H17IO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h7-9H,3-6H2,1-2H3 |
| InChIKey |
VCYRCZHXDDPHQG-UHFFFAOYSA-N |
| Molecular Weight |
296.148 g/mol |
| SMILES |
C1(CCC(C(C1)C)C(OCC)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963512 |
