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Ethyl (3R)-3-{benzyl[(1R)-1-phenylethyl]amio}dodecanoate
SpectraBase Compound ID GCR9NOIuTwY
InChI InChI=1S/C29H43NO2/c1-4-6-7-8-9-10-17-22-28(23-29(31)32-5-2)30(24-26-18-13-11-14-19-26)25(3)27-20-15-12-16-21-27/h11-16,18-21,25,28H,4-10,17,22-24H2,1-3H3/t25-,28-/m1/s1
InChIKey NSCQJALFOQIKPC-LEAFIULHSA-N
Mol Weight 437.7 g/mol
Molecular Formula C29H43NO2
Exact Mass 437.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65MQHOxuo99
Name Ethyl (3R)-3-{benzyl[(1R)-1-phenylethyl]amio}dodecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H43NO2
InChI InChI=1S/C29H43NO2/c1-4-6-7-8-9-10-17-22-28(23-29(31)32-5-2)30(24-26-18-13-11-14-19-26)25(3)27-20-15-12-16-21-27/h11-16,18-21,25,28H,4-10,17,22-24H2,1-3H3/t25-,28-/m1/s1
InChIKey NSCQJALFOQIKPC-LEAFIULHSA-N
Molecular Weight 437.668 g/mol
SMILES [C@@](N([C@@](c1ccccc1)(C)[H])Cc1ccccc1)(CC(=O)OCC)(CCCCCCCCC)[H]
SPLASH splash10-0bt9-0349000000-1deda8118a59d5f52a74
Source of Spectrum KD-14-1939-13
Wiley ID 1636090