| SpectraBase Spectrum ID |
A4DlfmORWi7 |
| Name |
Succinic acid, dodec-9-yn-1-yl hexyl 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/c1-3-5-7-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-8-6-4-2/h3-4,6,8-20H2,1-2H3 |
| InChIKey |
RHWFIEZEQJPTFR-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C(C(OCCCCCCCCC#CCC)=O)CC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909118 |
