| SpectraBase Spectrum ID |
GraFWkgh1C3 |
| Name |
Glutaric acid, 3-nitrophenethyl 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/c1-2-3-4-5-6-7-15-27-20(23)12-9-13-21(24)28-16-14-18-10-8-11-19(17-18)22(25)26/h8,10-11,17H,2-7,9,12-16H2,1H3 |
| InChIKey |
GICGEESXZFSHMW-UHFFFAOYSA-N |
| Molecular Weight |
393.480 g/mol |
| SMILES |
C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCCCC)=O |
