| SpectraBase Spectrum ID |
LvjlFN1DkuN |
| Name |
(R)-N-(3-Methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)-N'-phenyl-S-methyl-S-phenyl-sulfondiimide |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22N4OS |
| InChI |
InChI=1S/C22H22N4OS/c1-26-16-17-15-19(13-14-21(17)23-22(26)27)25-28(2,20-11-7-4-8-12-20)24-18-9-5-3-6-10-18/h3-15H,16H2,1-2H3,(H,23,27)/t28-/m1/s1 |
| InChIKey |
XHXANIGECPNEQE-MUUNZHRXSA-N |
| Instrument Name |
Finnigan SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acsmedchemlett.9b00625 |
| Molecular Weight |
390.505 g/mol |
| Optical Rotation |
[a]D = 601.5 (c = 1.95, CHCl3) |
| Reported Formula |
C22H22N4OS |
| SMILES |
N1c2c(CN(C1=O)C)cc(cc2)N=[S@](c1ccccc1)(=Nc1ccccc1)C |
| SPLASH |
splash10-0v03-3591000000-5a72bc07f415c0cf54be |
| Sample Comments |
>99% ee |
| Source of Spectrum |
MCS-11-SM23-(R)-5a |
| Wiley ID |
1880128 |
