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N-Benzyl-O-[3,5-bis(trifluoromethyl)benzyl]-1,2,3,4,5,6-hexahydro-5.alpha.-hydroxy-5.beta.-methyl-2.beta.phenyl-2.alpha.-pyridinemethanol
SpectraBase Compound ID 4sJvJnvzorA
InChI InChI=1S/C29H29F6NO2/c1-26(37)12-13-27(23-10-6-3-7-11-23,36(19-26)17-21-8-4-2-5-9-21)20-38-18-22-14-24(28(30,31)32)16-25(15-22)29(33,34)35/h2-11,14-16,37H,12-13,17-20H2,1H3/t26-,27-/m1/s1
InChIKey KNVAZMOHRNLVNT-KAYWLYCHSA-N
Mol Weight 537.55 g/mol
Molecular Formula C29H29F6NO2
Exact Mass 537.210248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqTtV6AN8LY
Name N-Benzyl-O-[3,5-bis(trifluoromethyl)benzyl]-1,2,3,4,5,6-hexahydro-5.alpha.-hydroxy-5.beta.-methyl-2.beta.phenyl-2.alpha.-pyridinemethanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29F6NO2
InChI InChI=1S/C29H29F6NO2/c1-26(37)12-13-27(23-10-6-3-7-11-23,36(19-26)17-21-8-4-2-5-9-21)20-38-18-22-14-24(28(30,31)32)16-25(15-22)29(33,34)35/h2-11,14-16,37H,12-13,17-20H2,1H3/t26-,27-/m1/s1
InChIKey KNVAZMOHRNLVNT-KAYWLYCHSA-N
Molecular Weight 537.546 g/mol
SMILES O[C@]1(CN([C@@](CC1)(c1ccccc1)COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccccc1)C
SPLASH splash10-00kr-0000090000-ff37ce548c4fd78150d6
Source of Spectrum F-56-3051-10
Synonyms (3R,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-6-phenyl-1-(phenylmethyl)-3-piperidinol (3R,6S)-1-benzyl-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-6-phenylpiperidin-3-ol (3R,6S)-1-benzyl-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-6-phenyl-piperidin-3-ol (3R,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3-methyl-6-phenyl-1-(phenylmethyl)piperidin-3-ol
Wiley ID 856738