| SpectraBase Compound ID | ENCYqCl3KEG |
|---|---|
| InChI | InChI=1S/C9H9NO4/c11-7-14-5-4-8-2-1-3-9(6-8)10(12)13/h1-3,6-7H,4-5H2 |
| InChIKey | QSHDHOFHYIOUTH-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 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 | YDdCAzGHxz |
|---|---|
| Name | Formic acid, 2-(3-nitrophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c11-7-14-5-4-8-2-1-3-9(6-8)10(12)13/h1-3,6-7H,4-5H2 |
| InChIKey | QSHDHOFHYIOUTH-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C1=C(C=C(C=C1)N(=O)=O)CCOC=O |