| SpectraBase Spectrum ID |
6ysqWEwgGbp |
| Name |
Glutaric acid, 2-methylhex-3-yl 2-methyl-3-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.199487652 u |
| Formula |
C20H29NO6 |
| InChI |
InChI=1S/C20H29NO6/c1-5-8-18(14(2)3)27-20(23)12-7-11-19(22)26-13-16-9-6-10-17(15(16)4)21(24)25/h6,9-10,14,18H,5,7-8,11-13H2,1-4H3 |
| InChIKey |
LLODKZONBUXJEN-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(C(OC(=O)CCCC(OCC1=CC=CC(=C1C)N(=O)=O)=O)C(C)C)CC |
