| SpectraBase Spectrum ID |
rQsIwNoSZi |
| Name |
(2rs,4sr)-3,4-Dihydro-4-(p-nitrophenyl)-6-phenyl-2-(2'-oxo-3'-oxazolidinyl)-2H-pyran-5-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.116820654 u |
| Formula |
C21H17N3O5 |
| InChI |
InChI=1S/C21H17N3O5/c22-13-18-17(14-6-8-16(9-7-14)24(26)27)12-19(23-10-11-28-21(23)25)29-20(18)15-4-2-1-3-5-15/h1-9,17,19H,10-12H2/t17-,19+/m1/s1 |
| InChIKey |
IWPWGBILBBKPCA-MJGOQNOKSA-N |
| Molecular Weight |
391.383 g/mol |
| SMILES |
[C@@]1(N2C(OCC2)=O)(OC(C=2C=CC=CC2)=C([C@](C1)(C=1C=CC(N(=O)=O)=CC1)[H])C#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870135 |
