| SpectraBase Spectrum ID |
6b851LRkX0u |
| Name |
Methyl 3,7,11,15-tetramethylhexadec-2-enoate |
| 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/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h16-19H,7-15H2,1-6H3/b20-16+ |
| InChIKey |
WISPDDYDWJMVMK-CAPFRKAQSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88838 |
