| SpectraBase Spectrum ID |
5Qfarm2VMzb |
| Name |
(S)-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-/m0/s1 |
| InChIKey |
XHXANIGECPNEQE-NDEPHWFRSA-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 = -612.8 (c = 1.95, CHCl3) |
| Reported Formula |
C22H22N4OS |
| SMILES |
N1c2c(CN(C1=O)C)cc(cc2)N=[S@@](c1ccccc1)(=Nc1ccccc1)C |
| SPLASH |
splash10-0f96-9730000000-bd9d3a422cf52ea90636 |
| Sample Comments |
99% ee |
| Source of Spectrum |
MCS-11-SM22-(S)-5a |
| Wiley ID |
1880129 |
