| SpectraBase Compound ID | 2Ddcvx7Ybzi |
|---|---|
| InChI | InChI=1S/C18H11NO5/c20-11-16-15-4-2-1-3-12(15)7-10-17(16)24-18(21)13-5-8-14(9-6-13)19(22)23/h1-11H |
| InChIKey | CVQIVXWMFACZIB-UHFFFAOYSA-N |
| Mol Weight | 321.29 g/mol |
| Molecular Formula | C18H11NO5 |
| Exact Mass | 321.063722 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 | HFohWX0MyxR |
|---|---|
| Name | Benzoic acid, 4-nitro-, 1-formylnaphth-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.063722453 u |
| Formula | C18H11NO5 |
| InChI | InChI=1S/C18H11NO5/c20-11-16-15-4-2-1-3-12(15)7-10-17(16)24-18(21)13-5-8-14(9-6-13)19(22)23/h1-11H |
| InChIKey | CVQIVXWMFACZIB-UHFFFAOYSA-N |
| Molecular Weight | 321.288 g/mol |
| SMILES | C1=CC=C2C(C=O)=C(OC(C3=CC=C(N(=O)=O)C=C3)=O)C=CC2=C1 |