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2-(4-((3s,5s,7s)-Adamantan-1-yl)piperazin-1-yl)pyrimidine
SpectraBase Compound ID IVwUIlSCAcE
InChI InChI=1S/C18H26N4/c1-2-19-17(20-3-1)21-4-6-22(7-5-21)18-11-14-8-15(12-18)10-16(9-14)13-18/h1-3,14-16H,4-13H2/t14-,15+,16-,18-
InChIKey AYRVVNAVMDPSEB-CMIRHGDUSA-N
Mol Weight 298.43 g/mol
Molecular Formula C18H26N4
Exact Mass 298.215747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D33uZPDPzoE
Name 2-(4-((3s,5s,7s)-Adamantan-1-yl)piperazin-1-yl)pyrimidine
Appearance Colorless oil
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Exact Mass 298.215746853 u
Formula C18H26N4
InChI InChI=1S/C18H26N4/c1-2-19-17(20-3-1)21-4-6-22(7-5-21)18-11-14-8-15(12-18)10-16(9-14)13-18/h1-3,14-16H,4-13H2/t14-,15+,16-,18-
InChIKey AYRVVNAVMDPSEB-CMIRHGDUSA-N
Instrument Name Finnigan MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202304445
Quality 67
Reported Formula C18H26N4
SMILES C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])N1CCN(CC1)C1=NC=CC=N1)[H]
SPLASH splash10-002r-0900000000-9cd82245e61b3b7ed4ce
Source of Spectrum ACI-62-SM38-1n (DOI: 10.1002/anie.202304445)
Wiley ID 1911129