| SpectraBase Spectrum ID |
C2UB5AECAqk |
| Name |
(S)-3-(3,4-Dichlorophenyl)-3-hydroxypropanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87061 |
