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(3R)-N-Benzyl-1-{tert-butyl(dimethyl)silyl]oxy}-N-[(1R)-1-phenylethyl]-3-octanamine
SpectraBase Compound ID GShPinolVZ0
InChI InChI=1S/C29H47NOSi/c1-8-9-12-21-28(22-23-31-32(6,7)29(3,4)5)30(24-26-17-13-10-14-18-26)25(2)27-19-15-11-16-20-27/h10-11,13-20,25,28H,8-9,12,21-24H2,1-7H3/t25-,28-/m1/s1
InChIKey UXRPAYBKUBWYQN-LEAFIULHSA-N
Mol Weight 453.8 g/mol
Molecular Formula C29H47NOSi
Exact Mass 453.342692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CJGv9Xy4m
Name (3R)-N-Benzyl-1-{tert-butyl(dimethyl)silyl]oxy}-N-[(1R)-1-phenylethyl]-3-octanamine
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47NOSi
InChI InChI=1S/C29H47NOSi/c1-8-9-12-21-28(22-23-31-32(6,7)29(3,4)5)30(24-26-17-13-10-14-18-26)25(2)27-19-15-11-16-20-27/h10-11,13-20,25,28H,8-9,12,21-24H2,1-7H3/t25-,28-/m1/s1
InChIKey UXRPAYBKUBWYQN-LEAFIULHSA-N
Instrument Name VG 70 SEQ
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-4-5
Molecular Weight 453.786 g/mol
Optical Rotation [a]D21 = -7.3 (c = 1.17, absolute EtOH)
SMILES [C@](N(Cc1ccccc1)[C@@](c1ccccc1)(C)[H])(CCCCC)(CCO[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-0536-4968000000-cf65f975193d7435ae4d
Source of Spectrum BJO-4-SM7-31
Thin-Layer Chromatography Rf = 0.89 (hexane-EtOAc, 4:1)
Wiley ID 1871522