| SpectraBase Spectrum ID |
DGNY2uj1D4k |
| Name |
Sebacic acid, decyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.449160408 u |
| Formula |
C33H60O4 |
| InChI |
InChI=1S/C33H60O4/c1-3-5-7-9-11-13-14-15-19-23-27-31-37-33(35)29-25-21-17-16-20-24-28-32(34)36-30-26-22-18-12-10-8-6-4-2/h3-22,24-26,28-31H2,1-2H3 |
| InChIKey |
AAXMBXMUZBJKEB-UHFFFAOYSA-N |
| Molecular Weight |
520.839 g/mol |
| SMILES |
C(CCC#CCOC(CCCCCCCCC(OCCCCCCCCCC)=O)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865635 |
