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(1R,2R,6S)-2-[[[(2R)-2-(hydroxymethyl)-3,3-dimethyl-butyl]-methyl-amino]methyl]-4,4-dimethyl-6-(phenylmethoxymethyl)cyclohexan-1-ol

View entire compound with spectra: 1 MS (GC)

(1R,2R,6S)-2-[[[(2R)-2-(hydroxymethyl)-3,3-dimethyl-butyl]-methyl-amino]methyl]-4,4-dimethyl-6-(phenylmethoxymethyl)cyclohexan-1-ol
SpectraBase Compound ID 9Pco2c5vpb9
InChI InChI=1S/C25H43NO3/c1-24(2,3)22(16-27)15-26(6)14-20-12-25(4,5)13-21(23(20)28)18-29-17-19-10-8-7-9-11-19/h7-11,20-23,27-28H,12-18H2,1-6H3/t20-,21+,22-,23-/m1/s1
InChIKey FRUMRCRNHUIACC-KAOXLYBCSA-N
Mol Weight 405.6 g/mol
Molecular Formula C25H43NO3
Exact Mass 405.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dViFuhVF3x
Name (1R,2R,6S)-2-[[[(2R)-2-(hydroxymethyl)-3,3-dimethyl-butyl]-methyl-amino]methyl]-4,4-dimethyl-6-(phenylmethoxymethyl)cyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H43NO3
InChI InChI=1S/C25H43NO3/c1-24(2,3)22(16-27)15-26(6)14-20-12-25(4,5)13-21(23(20)28)18-29-17-19-10-8-7-9-11-19/h7-11,20-23,27-28H,12-18H2,1-6H3/t20-,21+,22-,23-/m1/s1
InChIKey FRUMRCRNHUIACC-KAOXLYBCSA-N
Molecular Weight 405.623 g/mol
SMILES O[C@@]1([C@@](CN(C[C@](CO)(C(C)(C)C)[H])C)(CC(C[C@]1(COCc1ccccc1)[H])(C)C)[H])[H]
SPLASH splash10-0a4i-9000000000-5ccf3ac56e79d1e7dd8f
Source of Spectrum J-63-2558-6
Synonyms (1R,2R,6S)-2-[[[(2R)-2-(hydroxymethyl)-3,3-dimethylbutyl]-methylamino]methyl]-4,4-dimethyl-6-(phenylmethoxymethyl)-1-cyclohexanol (1R,2S,6R)-2-(benzoxymethyl)-6-[[[(2R)-3,3-dimethyl-2-methylol-butyl]-methyl-amino]methyl]-4,4-dimethyl-cyclohexanol (1R,2R,6S)-2-[[[(2R)-2-(hydroxymethyl)-3,3-dimethylbutyl]-methylamino]methyl]-4,4-dimethyl-6-(phenylmethoxymethyl)cyclohexan-1-ol
Wiley ID 1371821