| SpectraBase Spectrum ID |
KNKizjJGGpq |
| Name |
(1R*,6R*)-1-Chloro-6,7-diphenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.043377567 u |
| Formula |
C17H14ClNO2S |
| InChI |
InChI=1S/C17H14ClNO2S/c18-16-15(20)19(14-9-5-2-6-10-14)17(16,21-11-12-22-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-,17-/m1/s1 |
| InChIKey |
MSZGFXOBNSLQHV-IAGOWNOFSA-N |
| Molecular Weight |
331.817 g/mol |
| SMILES |
[C@@]12([C@](OCCS2)(C=2C=CC=CC2)N(C1=O)C1=CC=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947453 |
![(1R*,6R*)-1-Chloro-6,7-diphenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one](/api/spectrum/KNKizjJGGpq/structure.png?h=300&w=458 "(1R*,6R*)-1-Chloro-6,7-diphenyl-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one")
