| SpectraBase Compound ID | 43tf4r8Dgbl |
|---|---|
| InChI | InChI=1S/C9H8ClNO5/c10-5-6-15-9(12)16-8-3-1-7(2-4-8)11(13)14/h1-4H,5-6H2 |
| InChIKey | XTINYHMDVMSXCV-UHFFFAOYSA-N |
| Mol Weight | 245.62 g/mol |
| Molecular Formula | C9H8ClNO5 |
| Exact Mass | 245.0091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaSDt7zjA27 |
|---|---|
| Name | Carbonic acid, 2-chloroethyl 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.009100057 u |
| Formula | C9H8ClNO5 |
| InChI | InChI=1S/C9H8ClNO5/c10-5-6-15-9(12)16-8-3-1-7(2-4-8)11(13)14/h1-4H,5-6H2 |
| InChIKey | XTINYHMDVMSXCV-UHFFFAOYSA-N |
| Molecular Weight | 245.618 g/mol |
| SMILES | C(CCl)OC(=O)OC1=CC=C(C=C1)N(=O)=O |