| SpectraBase Compound ID | K877BsdWGhn |
|---|---|
| InChI | InChI=1S/C20H29NO6/c1-2-3-4-5-6-14-26-19(22)11-8-12-20(23)27-15-13-17-9-7-10-18(16-17)21(24)25/h7,9-10,16H,2-6,8,11-15H2,1H3 |
| InChIKey | LLQJIIVZRRAKES-UHFFFAOYSA-N |
| Mol Weight | 379.45 g/mol |
| Molecular Formula | C20H29NO6 |
| Exact Mass | 379.199488 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 | JFoHPFMZah8 |
|---|---|
| Name | Glutaric acid, heptyl 3-nitrophenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.199487652 u |
| Formula | C20H29NO6 |
| InChI | InChI=1S/C20H29NO6/c1-2-3-4-5-6-14-26-19(22)11-8-12-20(23)27-15-13-17-9-7-10-18(16-17)21(24)25/h7,9-10,16H,2-6,8,11-15H2,1H3 |
| InChIKey | LLQJIIVZRRAKES-UHFFFAOYSA-N |
| Molecular Weight | 379.453 g/mol |
| SMILES | C(OCCC1=CC=CC(=C1)N(=O)=O)(=O)CCCC(OCCCCCCC)=O |