| SpectraBase Spectrum ID |
IGnqJTCnCC4 |
| Name |
(6S,7S,9S,10S)-6,9-Epoxynonadec-18-ene-7,10-diol 10-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-4-6-8-9-10-11-13-15-20(24-17(3)22)21-16-18(23)19(25-21)14-12-7-5-2/h4,18-21,23H,1,5-16H2,2-3H3/t18-,19-,20-,21-/m0/s1 |
| InChIKey |
YYMWAKMKFQMBFR-TUFLPTIASA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
[C@]1(O[C@]([C@](C1)(O)[H])(CCCCC)[H])([C@@](OC(=O)C)(CCCCCCCC=C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875366 |
