| SpectraBase Spectrum ID |
IJe6fAVC4ms |
| Name |
Glutaric acid, heptadecyl 3-methylbut-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.370910086 u |
| Formula |
C27H50O4 |
| InChI |
InChI=1S/C27H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(28)20-19-21-27(29)31-24-22-25(2)3/h2,4-24H2,1,3H3 |
| InChIKey |
JMDINDGVKVGZPD-UHFFFAOYSA-N |
| Molecular Weight |
438.693 g/mol |
| SMILES |
CC(CCOC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8215 |
