| SpectraBase Spectrum ID |
3ASAfxRCFjt |
| Name |
Glutaric acid, di(2-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/c1-5-7-9-12-16(3)22-18(20)14-11-15-19(21)23-17(4)13-10-8-6-2/h16-17H,5-15H2,1-4H3 |
| InChIKey |
AXQQHXYKGZPDOX-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CC(OC(CCCC(OC(C)CCCCC)=O)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96567 |
