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2'-(bis[(4-Methylphenyl)sulfonyl]amino)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]-quinazoline]

View entire compound with spectra: 1 MS (GC)

2'-(bis[(4-Methylphenyl)sulfonyl]amino)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]-quinazoline]
SpectraBase Compound ID 9Ro5CORBvM4
InChI InChI=1S/C28H35N5O4S2/c1-20-10-14-22(15-11-20)38(34,35)33(39(36,37)23-16-12-21(2)13-17-23)27-30-26-29-25-9-5-4-8-24(25)28(32(26)31-27)18-6-3-7-19-28/h10-17,24-25H,3-9,18-19H2,1-2H3,(H,29,30,31)
InChIKey MJNMLQCNXAADIH-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C28H35N5O4S2
Exact Mass 569.213047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHz8SQeNkJi
Name 2'-(bis[(4-Methylphenyl)sulfonyl]amino)-4a',5',6',7',8',8a'-hexahydro-4'H-spiro[cyclohexane-1,9'-[1,2,4]triazolo[5,1-b]-quinazoline]
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Formula C28H35N5O4S2
InChI InChI=1S/C28H35N5O4S2/c1-20-10-14-22(15-11-20)38(34,35)33(39(36,37)23-16-12-21(2)13-17-23)27-30-26-29-25-9-5-4-8-24(25)28(32(26)31-27)18-6-3-7-19-28/h10-17,24-25H,3-9,18-19H2,1-2H3,(H,29,30,31)
InChIKey MJNMLQCNXAADIH-UHFFFAOYSA-N
Molecular Weight 569.739 g/mol
SMILES N1C2CCCCC2C2([n]3nc(nc13)N(S(c1ccc(cc1)C)(=O)=O)S(c1ccc(cc1)C)(=O)=O)CCCCC2
SPLASH splash10-0006-9200100000-3b59c68f097ebc1cf53a
Source of Spectrum Y-45-1425-16
Wiley ID 1666422