| SpectraBase Spectrum ID |
IMjfDqx4xp4 |
| Name |
Glutaric acid, heptyl 3-methyl-2-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/c1-3-4-5-6-7-14-26-18(22)12-9-13-19(23)27-15-17-11-8-10-16(2)20(17)21(24)25/h8,10-11H,3-7,9,12-15H2,1-2H3 |
| InChIKey |
IVDWGJZKSIQORE-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(OCC1=C(C(C)=CC=C1)N(=O)=O)(=O)CCCC(OCCCCCCC)=O |
