| SpectraBase Spectrum ID |
AgCoRvQVMw8 |
| Name |
Glutaric acid, 2-methylhex-3-yl 3-methyl-2-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/c1-5-8-17(14(2)3)27-19(23)12-7-11-18(22)26-13-16-10-6-9-15(4)20(16)21(24)25/h6,9-10,14,17H,5,7-8,11-13H2,1-4H3 |
| InChIKey |
OFSIPRYWLKNWHI-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(OCC1=C(C(C)=CC=C1)N(=O)=O)(=O)CCCC(OC(CCC)C(C)C)=O |
