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N-[(Adamant-1-yl)methyl]-3-(benzyloxy)aniline Hydrochloride
SpectraBase Compound ID Cl4TKgomhBK
InChI InChI=1S/C24H29NO.ClH/c1-2-5-18(6-3-1)16-26-23-8-4-7-22(12-23)25-17-24-13-19-9-20(14-24)11-21(10-19)15-24;/h1-8,12,19-21,25H,9-11,13-17H2;1H/t19-,20+,21-,24-;
InChIKey KKMIRRXEDQIYRE-MMMNRBSPSA-N
Mol Weight 383.96 g/mol
Molecular Formula C24H30ClNO
Exact Mass 383.201592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cppBSslYO
Name N-[(Adamant-1-yl)methyl]-3-(benzyloxy)aniline Hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30ClNO
InChI InChI=1S/C24H29NO.ClH/c1-2-5-18(6-3-1)16-26-23-8-4-7-22(12-23)25-17-24-13-19-9-20(14-24)11-21(10-19)15-24;/h1-8,12,19-21,25H,9-11,13-17H2;1H/t19-,20+,21-,24-;
InChIKey KKMIRRXEDQIYRE-MMMNRBSPSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00908
Molecular Weight 383.963 g/mol
SMILES N(CC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])c1cc(ccc1)OCc1ccccc1.Cl
SPLASH splash10-01ot-4089000000-1e8f3b48ace203e51baf
Source of Spectrum AF-61-112-19g
Wiley ID 1879427