| SpectraBase Spectrum ID |
1OT50MIav29 |
| Name |
Glutaric acid, 3,5-dinitro-2-methylbenzyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.184565862 u |
| Formula |
C20H28N2O8 |
| InChI |
InChI=1S/C20H28N2O8/c1-3-4-5-6-7-11-29-19(23)9-8-10-20(24)30-14-16-12-17(21(25)26)13-18(15(16)2)22(27)28/h12-13H,3-11,14H2,1-2H3 |
| InChIKey |
OPDMKEVVHZIADM-UHFFFAOYSA-N |
| Molecular Weight |
424.450 g/mol |
| SMILES |
C(OCC1=C(C)C(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCCCCCCC)=O |
