| SpectraBase Spectrum ID |
FoAvE4h0iiF |
| Name |
2-Pentanone, 5-(3-iodocyclopentyl)-, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.032410166 u |
| Formula |
C10H17IO |
| InChI |
InChI=1S/C10H17IO/c1-8(12)3-2-4-9-5-6-10(11)7-9/h9-10H,2-7H2,1H3/t9-,10-/m1/s1 |
| InChIKey |
FWEDNEVCDBUSQW-NXEZZACHSA-N |
| Molecular Weight |
280.149 g/mol |
| SMILES |
C(=O)(CCC[C@]1(C[C@](I)(CC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956158 |
