| SpectraBase Spectrum ID |
DqgsrjmznXq |
| Name |
Glutaric acid, 3,5-dinitrobenzyl isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.121965604 u |
| Formula |
C16H20N2O8 |
| InChI |
InChI=1S/C16H20N2O8/c1-11(2)9-25-15(19)4-3-5-16(20)26-10-12-6-13(17(21)22)8-14(7-12)18(23)24/h6-8,11H,3-5,9-10H2,1-2H3 |
| InChIKey |
WCAZMUOLLKEYJY-UHFFFAOYSA-N |
| Molecular Weight |
368.342 g/mol |
| SMILES |
C(OCC1=CC(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OCC(C)C)=O |
