| SpectraBase Spectrum ID |
2EAttJcd7AY |
| Name |
(S)-2-Acetoxy-2-methyl-3-phenylpropanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.094628661 u |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-10(14)15-12(2,9-13)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3/t12-/m0/s1 |
| InChIKey |
WYLQNFDKKMXWNC-LBPRGKRZSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
C(#N)[C@@](OC(=O)C)(CC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919632 |
