| SpectraBase Compound ID | LD42BSQnta2 |
|---|---|
| InChI | InChI=1S/C17H15NO6/c1-2-11-23-16(19)14-5-3-4-6-15(14)17(20)24-13-9-7-12(8-10-13)18(21)22/h3-10H,2,11H2,1H3 |
| InChIKey | SPXIYGADEFEJED-UHFFFAOYSA-N |
| Mol Weight | 329.31 g/mol |
| Molecular Formula | C17H15NO6 |
| Exact Mass | 329.089937 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 | AyECVm7mW9P |
|---|---|
| Name | Phthalic acid, 4-nitrophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.089937201 u |
| Formula | C17H15NO6 |
| InChI | InChI=1S/C17H15NO6/c1-2-11-23-16(19)14-5-3-4-6-15(14)17(20)24-13-9-7-12(8-10-13)18(21)22/h3-10H,2,11H2,1H3 |
| InChIKey | SPXIYGADEFEJED-UHFFFAOYSA-N |
| Molecular Weight | 329.308 g/mol |
| SMILES | CCCOC(C1=CC=CC=C1C(OC1=CC=C(C=C1)N(=O)=O)=O)=O |