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N-[(Adamant-1-yl)methyl]-4-chloroaniline Hydrochloride
SpectraBase Compound ID 4maSbMEoi0g
InChI InChI=1S/C17H22ClN.Cl/c18-15-1-3-16(4-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17;/h1-4,12-14,19H,5-11H2;/t12-,13+,14-,17-;
InChIKey JZXCEDDERFPNBZ-IXCURVSUSA-N
Mol Weight 311.28 g/mol
Molecular Formula C17H22Cl2N
Exact Mass 310.11293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EScBno8fftR
Name N-[(Adamant-1-yl)methyl]-4-chloroaniline Hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23Cl2N
InChI InChI=1S/C17H22ClN.Cl/c18-15-1-3-16(4-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17;/h1-4,12-14,19H,5-11H2;/t12-,13+,14-,17-;
InChIKey JZXCEDDERFPNBZ-IXCURVSUSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00908
Molecular Weight 312.284 g/mol
SMILES N(CC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])c1ccc(cc1)Cl.Cl
SPLASH splash10-004l-1960000000-0626135d66d8485a4619
Source of Spectrum AF-61-113-19l
Wiley ID 1879430