| SpectraBase Spectrum ID |
29j8JrrNiS8 |
| Name |
Glutaric acid, hexyl 3-methyl-2-nitrobenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.183837587 u |
| Formula |
C19H27NO6 |
| InChI |
InChI=1S/C19H27NO6/c1-3-4-5-6-13-25-17(21)11-8-12-18(22)26-14-16-10-7-9-15(2)19(16)20(23)24/h7,9-10H,3-6,8,11-14H2,1-2H3 |
| InChIKey |
LHUQAAOUVCQVIT-UHFFFAOYSA-N |
| Molecular Weight |
365.426 g/mol |
| SMILES |
C(OCC1=C(C(C)=CC=C1)N(=O)=O)(=O)CCCC(OCCCCCC)=O |
