| SpectraBase Compound ID | Ay8QNHVQUlp |
|---|---|
| InChI | InChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5,9,13H,3H2/t9-/m0/s1 |
| InChIKey | PPTNXEHDMZHGOJ-VIFPVBQESA-N |
| Mol Weight | 216.07 g/mol |
| Molecular Formula | C9H7Cl2NO |
| Exact Mass | 214.990469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2py0NhrvmBi |
|---|---|
| Name | (S)-3-(3,4-Dichlorophenyl)-3-hydroxypropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.990469248 u |
| Formula | C9H7Cl2NO |
| InChI | InChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5,9,13H,3H2/t9-/m0/s1 |
| InChIKey | PPTNXEHDMZHGOJ-VIFPVBQESA-N |
| Molecular Weight | 216.067 g/mol |
| SMILES | C(#N)C[C@@](C=1C=C(Cl)C(=CC1)Cl)(O)[H] |