| SpectraBase Spectrum ID |
LrPh4QbqaFF |
| Name |
Methyl scalar-17-en-25-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.318480590 u |
| Formula |
C26H42O2 |
| InChI |
InChI=1S/C26H42O2/c1-17-9-10-19-25(5)15-11-18-23(2,3)13-8-14-24(18,4)20(25)12-16-26(19,6)21(17)22(27)28-7/h18-20H,8-16H2,1-7H3 |
| InChIKey |
AXZDJHNRYXTVKR-UHFFFAOYSA-N |
| Molecular Weight |
386.620 g/mol |
| SMILES |
C12(C(C(=O)OC)=C(C)CCC1C1(CCC3C(C1CC2)(CCCC3(C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886181 |
