| SpectraBase Spectrum ID |
EGjWUs9Ek3H |
| Name |
Glutaric acid, hept-2-yl 3-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-8-10-13-17(4)23-19(21)15-12-16-20(22)24-18(7-3)14-11-9-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey |
HZFDDAPMHZSTFC-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OC(CCCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926836 |
