| SpectraBase Spectrum ID |
1xELhRWx9RH |
| Name |
Glutaric acid, 3-methyl-2-nitrobenzyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.215137716 u |
| Formula |
C21H31NO6 |
| InChI |
InChI=1S/C21H31NO6/c1-3-4-5-6-7-8-15-27-19(23)13-10-14-20(24)28-16-18-12-9-11-17(2)21(18)22(25)26/h9,11-12H,3-8,10,13-16H2,1-2H3 |
| InChIKey |
YNTBKLBYYRYCSA-UHFFFAOYSA-N |
| Molecular Weight |
393.480 g/mol |
| SMILES |
C(OCC1=C(C(C)=CC=C1)N(=O)=O)(=O)CCCC(OCCCCCCCC)=O |
