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(3R)-3-{Benzyl[(1R)-1-phenylethyl]amino}-1-octanol
SpectraBase Compound ID 9UjnaPgj6zG
InChI InChI=1S/C23H33NO/c1-3-4-7-16-23(17-18-25)24(19-21-12-8-5-9-13-21)20(2)22-14-10-6-11-15-22/h5-6,8-15,20,23,25H,3-4,7,16-19H2,1-2H3/t20-,23-/m1/s1
InChIKey MUSKDZLUXBXSMP-NFBKMPQASA-N
Mol Weight 339.5 g/mol
Molecular Formula C23H33NO
Exact Mass 339.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2wwb99tEZB
Name (3R)-3-{Benzyl[(1R)-1-phenylethyl]amino}-1-octanol
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO
InChI InChI=1S/C23H33NO/c1-3-4-7-16-23(17-18-25)24(19-21-12-8-5-9-13-21)20(2)22-14-10-6-11-15-22/h5-6,8-15,20,23,25H,3-4,7,16-19H2,1-2H3/t20-,23-/m1/s1
InChIKey MUSKDZLUXBXSMP-NFBKMPQASA-N
Instrument Name VG 70 SEQ
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-4-5
Molecular Weight 339.523 g/mol
Optical Rotation [a]D23 = +8.1 (c = 1.11, absolute EtOH)
SMILES OCC[C@](N(Cc1ccccc1)[C@@](c1ccccc1)(C)[H])(CCCCC)[H]
SPLASH splash10-05mo-4960000000-e0c7947cdf7a8e31b8a6
Source of Spectrum BJO-4-SM6-30
Thin-Layer Chromatography Rf = 0.35 (hexane-EtOAc, 4:1)
Wiley ID 1871521