| SpectraBase Spectrum ID |
9sZAyXOqJEs |
| Name |
Sebacic acid, butyl non-5-yn-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-4-7-9-14-17-21(6-3)27-23(25)19-16-13-11-10-12-15-18-22(24)26-20-8-5-2/h21H,4-8,10-13,15-20H2,1-3H3 |
| InChIKey |
HVEFZGLJTORQPQ-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(CC(OC(CCCCCCCCC(OCCCC)=O)=O)CC)#CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895402 |
