| SpectraBase Spectrum ID |
2kWcki4NKOC |
| Name |
Glutaric acid, 2-heptyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-4-6-8-9-11-16-22-18(20)14-12-15-19(21)23-17(3)13-10-7-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
KWNIBHNZUTVNCH-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CC(OC(CCCC(OCCCCCCC)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842879 |
