| SpectraBase Compound ID | DahJ9e2a402 |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-3-9-22-15(18)5-4-6-16(19)23-11-13-8-7-12(2)14(10-13)17(20)21/h7-8,10H,3-6,9,11H2,1-2H3 |
| InChIKey | FDMWSKPMDULTKC-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B5T6sPpNo5C |
|---|---|
| Name | Glutaric acid, 4-methyl-3-nitrobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-3-9-22-15(18)5-4-6-16(19)23-11-13-8-7-12(2)14(10-13)17(20)21/h7-8,10H,3-6,9,11H2,1-2H3 |
| InChIKey | FDMWSKPMDULTKC-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(OCC1=CC(=C(C=C1)C)N(=O)=O)(=O)CCCC(OCCC)=O |