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3-Amidino-3-azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane Hydrochloride
SpectraBase Compound ID HREtejOttg1
InChI InChI=1S/C11H17N3.Cl/c12-9(13)14-5-10-1-7-2-11(10,6-14)4-8(7)3-10;/h7-8H,1-6H2,(H3,12,13);/t7?,8?,10-,11+;
InChIKey MHWZMUNOLKNDLW-OHTOBKJJSA-N
Mol Weight 226.73 g/mol
Molecular Formula C11H17ClN3
Exact Mass 226.1111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT8Uypefxau
Name 3-Amidino-3-azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane Hydrochloride
Appearance Beige solid
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Formula C11H18ClN3
InChI InChI=1S/C11H17N3.Cl/c12-9(13)14-5-10-1-7-2-11(10,6-14)4-8(7)3-10;/h7-8H,1-6H2,(H3,12,13);/t7?,8?,10-,11+;
InChIKey MHWZMUNOLKNDLW-OHTOBKJJSA-N
Instrument Name Agilent 5975 GC-122-5532 DB-5MS
Ionization Type EI
Literature Reference DOI 10.1021/jm401340p
Molecular Weight 227.739 g/mol
SMILES Cl.N=C(N1C[C@]23[C@@]4(CC(C(C4)C3)C2)C1)N
SPLASH splash10-0f9i-6900000000-4558402af04ce37cf6c7
Source of Spectrum AF-56-9271-16b.HCl
Wiley ID 1865442