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N-(2-adamantyl)-3-tert-butyl-2,2-diisobutyl-N-(1-piperidyl)-1,3,2lambda4-thiazalumetidin-4-amine
SpectraBase Compound ID 4lnMsutkw3u
InChI InChI=1S/C20H36N3S.2C4H9.Al/c1-20(2,3)21-19(24)23(22-7-5-4-6-8-22)18-16-10-14-9-15(12-16)13-17(18)11-14;2*1-4(2)3;/h14-19,24H,4-13H2,1-3H3;2*4H,1H2,2-3H3;/q-1;;;+2/p-1/t14-,15+,16-,17+,18-,19?;;;
InChIKey VZWMIIYZWVYZRC-HHYNWEFJSA-M
Mol Weight 490.8 g/mol
Molecular Formula C28H53AlN3S
Exact Mass 490.377558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FdnNsGk26
Name N-(2-adamantyl)-3-tert-butyl-2,2-diisobutyl-N-(1-piperidyl)-1,3,2lambda4-thiazalumetidin-4-amine
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Formula C28H53AlN3S
InChI InChI=1S/C20H36N3S.2C4H9.Al/c1-20(2,3)21-19(24)23(22-7-5-4-6-8-22)18-16-10-14-9-15(12-16)13-17(18)11-14;2*1-4(2)3;/h14-19,24H,4-13H2,1-3H3;2*4H,1H2,2-3H3;/q-1;;;+2/p-1/t14-,15+,16-,17+,18-,19?;;;
InChIKey VZWMIIYZWVYZRC-HHYNWEFJSA-M
Molecular Weight 490.795 g/mol
SMILES C1(N([Al](S1)(CC(C)C)CC(C)C)C(C)(C)C)N(N1CCCCC1)C1[C@]2(C[C@@]3(C[C@](C2)(C[C@]1(C3)[H])[H])[H])[H]
SPLASH splash10-001i-0033900000-3b4a9a62879ea2c5238f
Source of Spectrum U2-2016-2728-9
Wiley ID 1801145