| SpectraBase Spectrum ID |
JIhNbF5IzJj |
| Name |
Succinic acid, hex-4-yn-3-yl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.355260022 u |
| Formula |
C27H48O4 |
| InChI |
InChI=1S/C27H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-26(28)22-23-27(29)31-25(6-3)21-5-2/h25H,4,6-20,22-24H2,1-3H3 |
| InChIKey |
LMJQGWOQAMWLDJ-UHFFFAOYSA-N |
| Molecular Weight |
436.677 g/mol |
| SMILES |
C(CC(OC(CC)C#CC)=O)C(OCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845919 |
