| SpectraBase Spectrum ID |
AorfjxQ83wd |
| Name |
(Z)-(-)-2-(4-methoxyphenyl)-1-phenylcyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.115364106 u |
| Formula |
C17H15NO |
| InChI |
InChI=1S/C17H15NO/c1-19-15-9-7-13(8-10-15)16-11-17(16,12-18)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3/t16-,17+/m0/s1 |
| InChIKey |
NLGWYRVRVYRMSG-DLBZAZTESA-N |
| Molecular Weight |
249.313 g/mol |
| SMILES |
C1[C@]([C@@]1(C1=CC=CC=C1)C#N)(C=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901895 |
