| SpectraBase Spectrum ID |
F5HVQmv0pPT |
| Name |
Glutaric acid, 3,5-dinitro-2-methylbenzyl 2-methylhex-3-yl 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/c1-5-7-18(13(2)3)30-20(24)9-6-8-19(23)29-12-15-10-16(21(25)26)11-17(14(15)4)22(27)28/h10-11,13,18H,5-9,12H2,1-4H3 |
| InChIKey |
PFTWUUYEJXKLEA-UHFFFAOYSA-N |
| Molecular Weight |
424.450 g/mol |
| SMILES |
C(OCC1=C(C)C(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OC(CCC)C(C)C)=O |
