| SpectraBase Spectrum ID |
6yZKW5Jvd1h |
| Name |
Methyl trans-9-(2-butylcyclopentyl)nonanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.271530397 u |
| Formula |
C19H36O2 |
| InChI |
InChI=1S/C19H36O2/c1-3-4-12-17-14-11-15-18(17)13-9-7-5-6-8-10-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1 |
| InChIKey |
LFIBOCIUNNYIJD-QZTJIDSGSA-N |
| SMILES |
C(C(OC)=O)CCCCCCC[C@@]1(CCC[C@]1(CCCC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822076 |
