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(4aS,8R,8aS)-5-Benzyl-8-cyclohexylperhydro-1,4-ethano-1,5-naphthyridine
SpectraBase Compound ID 2zFOCcTCkmE
InChI InChI=1S/C23H34N2/c1-3-7-18(8-4-1)17-25-16-13-21(19-9-5-2-6-10-19)23-22(25)20-11-14-24(23)15-12-20/h1,3-4,7-8,19-23H,2,5-6,9-17H2/t21-,22+,23+/m1/s1
InChIKey SNGAXBCBPZDCRA-VJBWXMMDSA-N
Mol Weight 338.5 g/mol
Molecular Formula C23H34N2
Exact Mass 338.272199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cgUFs3yUm1
Name (4aS,8R,8aS)-5-Benzyl-8-cyclohexylperhydro-1,4-ethano-1,5-naphthyridine
Alternate Name(s) (2S,3R,7S)-6-benzyl-3-cyclohexyl-1,6-diazatricyclo[6.2.2.0(2,7)]dodecane (4aR*,8S*,8aR*)-5-Benzyl-4-cyclohexylperhydro-1,4-ethano-1,5-naphthyridine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2
InChI InChI=1S/C23H34N2/c1-3-7-18(8-4-1)17-25-16-13-21(19-9-5-2-6-10-19)23-22(25)20-11-14-24(23)15-12-20/h1,3-4,7-8,19-23H,2,5-6,9-17H2/t21-,22+,23+/m1/s1
InChIKey SNGAXBCBPZDCRA-VJBWXMMDSA-N
Molecular Weight 338.539 g/mol
SMILES [C@@]12(N(CC[C@@]([C@@]2(N2CCC1CC2)[H])(C1CCCCC1)[H])Cc1ccccc1)[H]
SPLASH splash10-000b-0096000000-b403c528934076ca6b8f
Source of Spectrum KC-0-471-10
Wiley ID 783079