| SpectraBase Spectrum ID |
InuoolycMPH |
| Name |
Succinic acid, pentyl tridec-2-ynyl 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/c1-3-5-7-8-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-6-4-2/h3-13,15,17-20H2,1-2H3 |
| InChIKey |
GKNGNRXOGTULKO-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(OCC#CCCCCCCCCCC)(CCC(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945116 |
