| SpectraBase Spectrum ID |
9hDc1ITvKvD |
| Name |
Glutaric acid, heptadecyl 4-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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-32-28(30)24-21-25-29(31)33-27(22-5-2)23-6-3/h27H,4-26H2,1-3H3 |
| InChIKey |
DOLBNVLEXLUANP-UHFFFAOYSA-N |
| Molecular Weight |
468.763 g/mol |
| SMILES |
CCCC(OC(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807385 |
