| SpectraBase Spectrum ID |
7zQWDcOffqF |
| Name |
Glutaric acid, heptyl 3-nitro-4-methoxybenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.194402271 u |
| Formula |
C20H29NO7 |
| InChI |
InChI=1S/C20H29NO7/c1-3-4-5-6-7-13-27-19(22)9-8-10-20(23)28-15-16-11-12-18(26-2)17(14-16)21(24)25/h11-12,14H,3-10,13,15H2,1-2H3 |
| InChIKey |
DLFJFNSVJIJXPA-UHFFFAOYSA-N |
| Molecular Weight |
395.452 g/mol |
| SMILES |
C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OCCCCCCC)=O |
