| SpectraBase Spectrum ID |
JAtrj4olEG4 |
| Name |
Sebacic acid, nonyl tridec-2-ynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.433510344 u |
| Formula |
C32H58O4 |
| InChI |
InChI=1S/C32H58O4/c1-3-5-7-9-11-12-13-14-18-22-26-30-36-32(34)28-24-20-16-15-19-23-27-31(33)35-29-25-21-17-10-8-6-4-2/h3-21,23-25,27-30H2,1-2H3 |
| InChIKey |
AGORLYMWWPJEPS-UHFFFAOYSA-N |
| Molecular Weight |
506.812 g/mol |
| SMILES |
C(CCC#CCOC(CCCCCCCCC(OCCCCCCCCC)=O)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848829 |
