| SpectraBase Spectrum ID |
1tuUfVrajGH |
| Name |
Glutaric acid, 3,5-dinitrobenzyl hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.153265733 u |
| Formula |
C18H24N2O8 |
| InChI |
InChI=1S/C18H24N2O8/c1-2-3-4-5-9-27-17(21)7-6-8-18(22)28-13-14-10-15(19(23)24)12-16(11-14)20(25)26/h10-12H,2-9,13H2,1H3 |
| InChIKey |
IDCDOONUCVEWKW-UHFFFAOYSA-N |
| Molecular Weight |
396.396 g/mol |
| SMILES |
C(OCC1=CC(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCCCCCC)=O |
