| SpectraBase Spectrum ID |
DgZl9fZuHK4 |
| Name |
Succinic acid, tridec-2-yn-1-yl 2-methylbutyl 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/c1-4-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-19-20(3)5-2/h20H,4-13,16-19H2,1-3H3 |
| InChIKey |
NWGWTWCOUPVMRD-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(CC(OCC#CCCCCCCCCCC)=O)C(OCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89945 |
