| SpectraBase Spectrum ID |
K7PHXNIm7TN |
| Name |
Glutaric acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.168915797 u |
| Formula |
C19H26N2O8 |
| InChI |
InChI=1S/C19H26N2O8/c1-4-6-17(13(2)3)29-19(23)8-5-7-18(22)28-12-14-9-15(20(24)25)11-16(10-14)21(26)27/h9-11,13,17H,4-8,12H2,1-3H3 |
| InChIKey |
HAOHFYIQMYGJCU-UHFFFAOYSA-N |
| Molecular Weight |
410.423 g/mol |
| SMILES |
C(OCC1=CC(=CC(=C1)N(=O)=O)N(=O)=O)(=O)CCCC(OC(CCC)C(C)C)=O |
