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3-[((4-Chlorophenyl)amino)methyl]adamantan-1-ol Hydrochloride
SpectraBase Compound ID 9cgPNHxbZUj
InChI InChI=1S/C17H22ClNO.Cl/c18-14-1-3-15(4-2-14)19-11-16-6-12-5-13(7-16)9-17(20,8-12)10-16;/h1-4,12-13,19-20H,5-11H2;/t12-,13+,16+,17-;
InChIKey WDVFRGXRASRICU-WRDXMGSDSA-N
Mol Weight 327.27 g/mol
Molecular Formula C17H22Cl2NO
Exact Mass 326.107845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6ProJZu4w9
Name 3-[((4-Chlorophenyl)amino)methyl]adamantan-1-ol Hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23Cl2NO
InChI InChI=1S/C17H22ClNO.Cl/c18-14-1-3-15(4-2-14)19-11-16-6-12-5-13(7-16)9-17(20,8-12)10-16;/h1-4,12-13,19-20H,5-11H2;/t12-,13+,16+,17-;
InChIKey WDVFRGXRASRICU-WRDXMGSDSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00908
Molecular Weight 328.283 g/mol
SMILES O[C@]12C[C@]3(C[C@](C[C@](CNc4ccc(cc4)Cl)(C3)C1)(C2)[H])[H].Cl
SPLASH splash10-0006-1930000000-3a3805c777fabb9a522b
Source of Spectrum AF-61-114-22b
Wiley ID 1879435