| SpectraBase Spectrum ID |
CHLJctINts3 |
| Name |
Methyl (9Z,12R)-12-(tetrahydropyran-2'-yloxy)ricinoleate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-3-4-5-12-17-22(28-24-20-15-16-21-27-24)18-13-10-8-6-7-9-11-14-19-23(25)26-2/h10,13,22,24H,3-9,11-12,14-21H2,1-2H3/b13-10-/t22-,24?/m1/s1 |
| InChIKey |
HVZYYOGCSNZETA-ZAVCACOWSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(=O)(OC)CCCCCCC\C=C/C[C@](OC1OCCCC1)(CCCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978887 |
