| SpectraBase Spectrum ID |
EhQqDo5BQRO |
| Name |
Glutaric acid, 2-ethylhexyl 3-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.199487652 u |
| Formula |
C20H29NO6 |
| InChI |
InChI=1S/C20H29NO6/c1-3-5-8-16(4-2)14-26-19(22)11-7-12-20(23)27-15-17-9-6-10-18(13-17)21(24)25/h6,9-10,13,16H,3-5,7-8,11-12,14-15H2,1-2H3 |
| InChIKey |
PBGOGZPUCAKXPO-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCC=1C=CC=C(N(=O)=O)C1)=O |
