| SpectraBase Compound ID | 8YYFdc2Wxvq |
|---|---|
| InChI | InChI=1S/C11H11NO3/c1-8(13)15-11(7-12)9-4-3-5-10(6-9)14-2/h3-6,11H,1-2H3/t11-/m1/s1 |
| InChIKey | JQEDZQBQGDMXFP-LLVKDONJSA-N |
| Mol Weight | 205.21 g/mol |
| Molecular Formula | C11H11NO3 |
| Exact Mass | 205.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IoPp1F1fY8 |
|---|---|
| Name | (S)-(-)-2-acetoxy-2-(3-methoxyphenyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.073893215 u |
| Formula | C11H11NO3 |
| InChI | InChI=1S/C11H11NO3/c1-8(13)15-11(7-12)9-4-3-5-10(6-9)14-2/h3-6,11H,1-2H3/t11-/m1/s1 |
| InChIKey | JQEDZQBQGDMXFP-LLVKDONJSA-N |
| Molecular Weight | 205.213 g/mol |
| SMILES | C(#N)[C@@](OC(=O)C)(C=1C=C(OC)C=CC1)[H] |