| SpectraBase Spectrum ID |
4mEkXdau01b |
| Name |
(1R*,6R*)-1-Chloro-6-methyl-7-(4-methylphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one |
| Alternate Name(s) |
(1R,6R)-1-chloro-6-methyl-7-(4-methylphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14ClNO2S |
| InChI |
InChI=1S/C13H14ClNO2S/c1-9-3-5-10(6-4-9)15-11(16)13(14)12(15,2)17-7-8-18-13/h3-6H,7-8H2,1-2H3/t12-,13-/m1/s1 |
| InChIKey |
DDLLXGPJCZIEIC-CHWSQXEVSA-N |
| Molecular Weight |
283.773 g/mol |
| SMILES |
[C@@]12([C@](OCCS2)(C)N(C1=O)c1ccc(cc1)C)Cl |
| SPLASH |
splash10-0udi-0900000000-5569a7ae3e6fbec404e3 |
| Source of Spectrum |
H1-50-718-0 |
| Wiley ID |
816907 |
![(1R*,6R*)-1-Chloro-6-methyl-7-(4-methylphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one](/api/spectrum/4mEkXdau01b/structure.png?h=300&w=458 "(1R*,6R*)-1-Chloro-6-methyl-7-(4-methylphenyl)-5-oxa-2-thia-7-azabicyclo[4.2.0]octan-8-one")
