| SpectraBase Spectrum ID |
4ZVSjQ44UDJ |
| Name |
Glutaric acid, di(3-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/c1-5-9-12-16(7-3)22-18(20)14-11-15-19(21)23-17(8-4)13-10-6-2/h16-17H,5-15H2,1-4H3 |
| InChIKey |
ZSKUZBIQVAICAH-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CCC(OC(CCCC(OC(CC)CCCC)=O)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90066 |
