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(1S,3S,4S,5R)-4-butyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
SpectraBase Compound ID GRXsKED3I2P
InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16-,17-,18+,19+/m0/s1
InChIKey BGNPBRDPWFXAKX-INDMIFKZSA-N
Mol Weight 271.45 g/mol
Molecular Formula C19H29N
Exact Mass 271.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PWV8uGYSqp
Name (1S,3S,4S,5R)-4-butyl-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29N
InChI InChI=1S/C19H29N/c1-4-5-6-17-18(15-9-7-14(2)8-10-15)13-16-11-12-19(17)20(16)3/h7-10,16-19H,4-6,11-13H2,1-3H3/t16-,17-,18+,19+/m0/s1
InChIKey BGNPBRDPWFXAKX-INDMIFKZSA-N
Molecular Weight 271.448 g/mol
SMILES [C@]12(N([C@](C[C@@]([C@@]2(CCCC)[H])(c2ccc(cc2)C)[H])(CC1)[H])C)[H]
SPLASH splash10-001i-9000000000-f960cbf6e77dc2cc3483
Source of Spectrum F2-41-4978-9
Synonyms (1S,3S,4S,5R)-4-butyl-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]octane
Wiley ID 1599946