| SpectraBase Spectrum ID |
GYUseGsJLX0 |
| Name |
Octadecanoic acid, 9,10-epoxy-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.297745145 u |
| Formula |
C21H40O3 |
| InChI |
InChI=1S/C21H40O3/c1-4-5-6-7-9-12-15-19-20(24-19)16-13-10-8-11-14-17-21(22)23-18(2)3/h18-20H,4-17H2,1-3H3 |
| InChIKey |
KTOXFGSORDAWNM-UHFFFAOYSA-N |
| Molecular Weight |
340.548 g/mol |
| SMILES |
C1(OC1CCCCCCCC)CCCCCCCC(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937262 |
