| SpectraBase Spectrum ID |
LmJIwDvWApL |
| Name |
(3S,4S)-3-Isoamyl-3-isopropyl-4-methylcyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.198365456 u |
| Formula |
C14H26O |
| InChI |
InChI=1S/C14H26O/c1-10(2)6-7-14(11(3)4)9-13(15)8-12(14)5/h10-12H,6-9H2,1-5H3/t12-,14-/m0/s1 |
| InChIKey |
XMTWNCRXVOEIBZ-JSGCOSHPSA-N |
| Molecular Weight |
210.361 g/mol |
| SMILES |
[C@@]1([C@](CC(C1)=O)(C)[H])(CCC(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880138 |
