| SpectraBase Spectrum ID |
GG8oIGCSl3C |
| Name |
I-Propyl 11-octadecenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h9-10,20H,4-8,11-19H2,1-3H3/b10-9- |
| InChIKey |
ICPQWEIHIRVDTI-KTKRTIGZSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(C(OC(C)C)=O)CCCCCCCC\C=C/CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967092 |
