| SpectraBase Spectrum ID |
3q7JjyxXaD8 |
| Name |
2-oxa-6,7-Dithiabicyclo[2.2.1]heptan-5-one, 1-(4-morpholinyl)-4-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.049335692 u |
| Formula |
C14H15NO3S2 |
| InChI |
InChI=1S/C14H15NO3S2/c16-12-13(11-4-2-1-3-5-11)10-18-14(19-12,20-13)15-6-8-17-9-7-15/h1-5H,6-10H2 |
| InChIKey |
LKEVIQAQLDVPMN-UHFFFAOYSA-N |
| Molecular Weight |
309.398 g/mol |
| SMILES |
C12(SC(=O)C(S2)(C=2C=CC=CC2)CO1)N1CCOCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943908 |
![2-Oxa-6,7-dithiabicyclo[2.2.1]heptan-5-one, 1-(4-morpholinyl)-4-phenyl-](/api/spectrum/3q7JjyxXaD8/structure.png?h=300&w=458 "2-Oxa-6,7-dithiabicyclo[2.2.1]heptan-5-one, 1-(4-morpholinyl)-4-phenyl-")
