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(R)-N-(3-Methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)-N'-phenyl-S-methyl-S-phenyl-sulfondiimide
SpectraBase Compound ID I0q7xCmnVv3
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
Mol Weight 390.51 g/mol
Molecular Formula C22H22N4OS
Exact Mass 390.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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