| SpectraBase Spectrum ID |
Dxt8VeCIxyC |
| Name |
Glutaric acid, 3-methyl-4-nitrobenzyl heptyl 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/c1-3-4-5-6-7-13-26-19(22)9-8-10-20(23)27-15-17-11-12-18(21(24)25)16(2)14-17/h11-12,14H,3-10,13,15H2,1-2H3 |
| InChIKey |
VKGLFJICCRVGAN-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(OCC1=CC=C(C(=C1)C)N(=O)=O)(=O)CCCC(OCCCCCCC)=O |
