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Ethanamine, 2-[4-(1-adamantyl)phenoxy]-
SpectraBase Compound ID GdbByjVFC3Z
InChI InChI=1S/C18H25NO/c19-5-6-20-17-3-1-16(2-4-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12,19H2/t13-,14+,15-,18-
InChIKey RSGDDSXMTCZCNG-OVMOHIIOSA-N
Mol Weight 271.4 g/mol
Molecular Formula C18H25NO
Exact Mass 271.193614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NrLQOdK1d7
Name Ethanamine, 2-[4-(1-adamantyl)phenoxy]-
Comments Computed using HOSE algorithm
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Exact Mass 271.193614428 u
Formula C18H25NO
InChI InChI=1S/C18H25NO/c19-5-6-20-17-3-1-16(2-4-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15H,5-12,19H2/t13-,14+,15-,18-
InChIKey RSGDDSXMTCZCNG-OVMOHIIOSA-N
Molecular Weight 271.404 g/mol
SMILES C12(C3=CC=C(C=C3)OCCN)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]