| SpectraBase Spectrum ID |
L96IMnnVqq2 |
| Name |
(2R*,4S*)-2-Ethoxy-6-phenyl-4-( 4'-methoxyphenyl)-3,4-dihydro-2H-pyran-5-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-3-24-20-13-18(15-9-11-17(23-2)12-10-15)19(14-22)21(25-20)16-7-5-4-6-8-16/h4-12,18,20H,3,13H2,1-2H3/t18-,20+/m0/s1 |
| InChIKey |
MPNUXAJISWGJBG-AZUAARDMSA-N |
| Molecular Weight |
335.403 g/mol |
| SMILES |
C1(=C(O[C@](C[C@]1(C1=CC=C(C=C1)OC)[H])(OCC)[H])C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929524 |
