| SpectraBase Spectrum ID |
8GIyfXsLiMt |
| Name |
(S)-Hydroxy-((2S,3S)-2-methyl-3-phenyl-oxiranyl)-acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.078978596 u |
| Formula |
C11H11NO2 |
| InChI |
InChI=1S/C11H11NO2/c1-11(9(13)7-12)10(14-11)8-5-3-2-4-6-8/h2-6,9-10,13H,1H3/t9-,10-,11-/m0/s1 |
| InChIKey |
OLCZKXLQULIOHC-DCAQKATOSA-N |
| Molecular Weight |
189.214 g/mol |
| SMILES |
[C@@]1(O[C@]1(C=1C=CC=CC1)[H])([C@](C#N)(O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808034 |
