| SpectraBase Spectrum ID |
C8PqqD6zeMi |
| Name |
(2rs,4rs)-3,4-Dihydro-4-(p-nitrophenyl)-6-methyl-2-(2'-oxo-3'-oxazolidinyl)-5-(phenylsulfonyl)-2H-pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.099122159 u |
| Formula |
C21H20N2O7S |
| InChI |
InChI=1S/C21H20N2O7S/c1-14-20(31(27,28)17-5-3-2-4-6-17)18(15-7-9-16(10-8-15)23(25)26)13-19(30-14)22-11-12-29-21(22)24/h2-10,18-19H,11-13H2,1H3/t18-,19-/m0/s1 |
| InChIKey |
WKQXTDMCOWNKIS-OALUTQOASA-N |
| Molecular Weight |
444.458 g/mol |
| SMILES |
C1(S(=O)(=O)C=2C=CC=CC2)=C(O[C@](N2C(OCC2)=O)(C[C@]1(C=1C=CC(N(=O)=O)=CC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895625 |
