| SpectraBase Spectrum ID |
Iam808vFC9y |
| Name |
Oxirane, 2-octyl-3-pentyl-, (2S-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.229665585 u |
| Formula |
C15H30O |
| InChI |
InChI=1S/C15H30O/c1-3-5-7-8-9-11-13-15-14(16-15)12-10-6-4-2/h14-15H,3-13H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey |
XNYGWIBWMUHLKU-CABCVRRESA-N |
| Molecular Weight |
226.404 g/mol |
| SMILES |
[C@@]1(O[C@@]1(CCCCC)[H])(CCCCCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923739 |
