| SpectraBase Spectrum ID |
36lCkhTtIZm |
| Name |
Sebacic acid, 2-methyloct-5-yn-4-yl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-5-7-14-20(18-19(3)4)26-22(24)16-13-11-9-8-10-12-15-21(23)25-17-6-2/h19-20H,5-6,8-13,15-18H2,1-4H3 |
| InChIKey |
IENDVDYWTHIQQX-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(CCCC(OC(C#CCC)CC(C)C)=O)CCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926075 |
