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2'-([(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 VWyqqRINMZ
InChI InChI=1S/C21H29N5O2S/c1-15-9-11-16(12-10-15)29(27,28)25-19-23-20-22-18-8-4-3-7-17(18)21(26(20)24-19)13-5-2-6-14-21/h9-12,17-18H,2-8,13-14H2,1H3,(H2,22,23,24,25)
InChIKey XXBOLKRKSWCAHY-UHFFFAOYSA-N
Mol Weight 415.56 g/mol
Molecular Formula C21H29N5O2S
Exact Mass 415.204196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENCaAK5bgCf
Name 2'-([(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 C21H29N5O2S
InChI InChI=1S/C21H29N5O2S/c1-15-9-11-16(12-10-15)29(27,28)25-19-23-20-22-18-8-4-3-7-17(18)21(26(20)24-19)13-5-2-6-14-21/h9-12,17-18H,2-8,13-14H2,1H3,(H2,22,23,24,25)
InChIKey XXBOLKRKSWCAHY-UHFFFAOYSA-N
Molecular Weight 415.556 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1n[n]2c(n1)NC1C(C22CCCCC2)CCCC1
SPLASH splash10-00kf-6290300000-32ca5888852acba0aceb
Source of Spectrum Y-45-1425-15
Wiley ID 1666423