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Butanoic acid, 2,2-diethyl-, phenyl(4-phenyl-2-piperidinyl)methyl ester, [2.alpha.(S*),4.alpha.]-
SpectraBase Compound ID CMF7YcJVctq
InChI InChI=1S/C26H35NO2/c1-4-26(5-2,6-3)25(28)29-24(21-15-11-8-12-16-21)23-19-22(17-18-27-23)20-13-9-7-10-14-20/h7-16,22-24,27H,4-6,17-19H2,1-3H3/t22-,23+,24+/m1/s1
InChIKey BVGCVJAUYSTFLX-SGNDLWITSA-N
Mol Weight 393.6 g/mol
Molecular Formula C26H35NO2
Exact Mass 393.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXFflPRe2DZ
Name Butanoic acid, 2,2-diethyl-, phenyl(4-phenyl-2-piperidinyl)methyl ester, [2.alpha.(S*),4.alpha.]-
CAS Registry Number 88131-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35NO2
InChI InChI=1S/C26H35NO2/c1-4-26(5-2,6-3)25(28)29-24(21-15-11-8-12-16-21)23-19-22(17-18-27-23)20-13-9-7-10-14-20/h7-16,22-24,27H,4-6,17-19H2,1-3H3/t22-,23+,24+/m1/s1
InChIKey BVGCVJAUYSTFLX-SGNDLWITSA-N
Molecular Weight 393.571 g/mol
SMILES N1CC[C@](C[C@]1([C@@](OC(C(CC)(CC)CC)=O)(c1ccccc1)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0ikc-1900000000-64571663a3943fa79622
Source of Spectrum C-106-1017-0
Synonyms (S)-phenyl[(2S,4R)-4-phenylpiperidinyl]methyl 2,2-diethylbutanoate .alpha.(4-phenylpiperidin-2(a)-yl)benzyl 2,2-diethylbutaniate .alpha.(4-phenylpiperidin-2(a)-yl)benzyl 2,2-diethylbutanoate (isomer y) Erythro-.alpha.-(4-phenylpiridin-2(E)-yl)benzyl 2,2-diethylbutanoate N,N-(2(E)-(.alpha.-hydroxybenzyl)-4-phenyl-pentane-1,5-diyl)-2,2-diethylbutanamide Threo-.alpha.-(4-phenylpiperidin-2(E)-yl)benzyl 2,2-diethylbutanoate
Wiley ID 1366357