| SpectraBase Spectrum ID |
xLda4y4r6C |
| Name |
Glutaric acid, 3,5-dinitro-2-methylbenzyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.200215926 u |
| Formula |
C21H30N2O8 |
| InChI |
InChI=1S/C21H30N2O8/c1-3-4-5-6-7-8-12-30-20(24)10-9-11-21(25)31-15-17-13-18(22(26)27)14-19(16(17)2)23(28)29/h13-14H,3-12,15H2,1-2H3 |
| InChIKey |
PPSIJDSAEHQFTG-UHFFFAOYSA-N |
| Molecular Weight |
438.477 g/mol |
| SMILES |
C(OCC1=C(C)C(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCCCCCCCC)=O |
