| SpectraBase Compound ID | 4HZSQv8sp60 |
|---|---|
| InChI | InChI=1S/C17H28NO5P/c1-3-5-7-8-9-14-22-24(21,15-6-4-2)23-17-12-10-16(11-13-17)18(19)20/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | AWQMQWWAGIKAHP-UHFFFAOYSA-N |
| Mol Weight | 357.39 g/mol |
| Molecular Formula | C17H28NO5P |
| Exact Mass | 357.17051 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 | A5MCIspFEj3 |
|---|---|
| Name | Butylphosphonic acid, heptyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.170509999 u |
| Formula | C17H28NO5P |
| InChI | InChI=1S/C17H28NO5P/c1-3-5-7-8-9-14-22-24(21,15-6-4-2)23-17-12-10-16(11-13-17)18(19)20/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | AWQMQWWAGIKAHP-UHFFFAOYSA-N |
| Molecular Weight | 357.387 g/mol |
| SMILES | C(CCCOP(CCCC)(OC1=CC=C(C=C1)N(=O)=O)=O)CCC |