| SpectraBase Compound ID | 2dQ4OSqcrMs |
|---|---|
| InChI | InChI=1S/C14H13NO6/c1-8(16)19-12-5-4-11(6-13(12)20-9(2)17)14(7-15)21-10(3)18/h4-6,14H,1-3H3 |
| InChIKey | ONJRPCWQXAPQDP-UHFFFAOYSA-N |
| Mol Weight | 291.26 g/mol |
| Molecular Formula | C14H13NO6 |
| Exact Mass | 291.074287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwXW0NIgdbI |
|---|---|
| Name | 2-Acetoxy-2-(3,4-diacetyloxyphenyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.074287137 u |
| Formula | C14H13NO6 |
| InChI | InChI=1S/C14H13NO6/c1-8(16)19-12-5-4-11(6-13(12)20-9(2)17)14(7-15)21-10(3)18/h4-6,14H,1-3H3 |
| InChIKey | ONJRPCWQXAPQDP-UHFFFAOYSA-N |
| SMILES | C(C(C=1C=C(C(=CC1)OC(=O)C)OC(=O)C)OC(=O)C)#N |