| SpectraBase Spectrum ID |
9bJclRC1aHz |
| Name |
Glutaric acid, heptadecyl 2-heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.417860279 u |
| Formula |
C29H56O4 |
| InChI |
InChI=1S/C29H56O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-26-32-28(30)24-22-25-29(31)33-27(3)23-20-7-5-2/h27H,4-26H2,1-3H3 |
| InChIKey |
UKFPZHWDFXMMPM-UHFFFAOYSA-N |
| Molecular Weight |
468.763 g/mol |
| SMILES |
CC(OC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805986 |
