| SpectraBase Spectrum ID |
672xedqiyoE |
| Name |
Methyl (9S,10R)-9,10-methyleneicosanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.318480590 u |
| Formula |
C22H42O2 |
| InChI |
InChI=1S/C22H42O2/c1-3-4-5-6-7-8-10-13-16-20-19-21(20)17-14-11-9-12-15-18-22(23)24-2/h20-21H,3-19H2,1-2H3/t20-,21+/m1/s1 |
| InChIKey |
GKTJTMGYLPRUNR-RTWAWAEBSA-N |
| Molecular Weight |
338.576 g/mol |
| SMILES |
C1[C@@](CCCCCCCCCC)([C@]1(CCCCCCCC(=O)OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811312 |
