| SpectraBase Compound ID | D00Uoo3A8PN |
|---|---|
| InChI | InChI=1S/C8H7NO5/c1-13-8(10)14-7-4-2-6(3-5-7)9(11)12/h2-5H,1H3 |
| InChIKey | BKNCSPZEGXUNTP-UHFFFAOYSA-N |
| Mol Weight | 197.15 g/mol |
| Molecular Formula | C8H7NO5 |
| Exact Mass | 197.032422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9tYYwxAPmB5 |
|---|---|
| Name | Carbonic acid, methyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.032422324 u |
| Formula | C8H7NO5 |
| InChI | InChI=1S/C8H7NO5/c1-13-8(10)14-7-4-2-6(3-5-7)9(11)12/h2-5H,1H3 |
| InChIKey | BKNCSPZEGXUNTP-UHFFFAOYSA-N |
| Molecular Weight | 197.146 g/mol |
| SMILES | C(OC1=CC=C(C=C1)N(=O)=O)(OC)=O |