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(6R,7S,8S)-6-(N,N-dibenzylamino)-7,8-bis[(methoxymethyl)oxy]-non-1-ene

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(6R,7S,8S)-6-(N,N-dibenzylamino)-7,8-bis[(methoxymethyl)oxy]-non-1-ene
SpectraBase Compound ID L7W1W1FAH5J
InChI InChI=1S/C27H39NO4/c1-5-6-9-18-26(27(32-22-30-4)23(2)31-21-29-3)28(19-24-14-10-7-11-15-24)20-25-16-12-8-13-17-25/h5,7-8,10-17,23,26-27H,1,6,9,18-22H2,2-4H3/t23-,26+,27+/m0/s1
InChIKey NVUGHUKQSBWJQY-HUROMRQRSA-N
Mol Weight 441.6 g/mol
Molecular Formula C27H39NO4
Exact Mass 441.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTYJmkFqRv5
Name (6R,7S,8S)-6-(N,N-Dibenzylamino)-7,8-bis[(methoxymethyl)oxy]-non-1-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.287908736 u
Formula C27H39NO4
InChI InChI=1S/C27H39NO4/c1-5-6-9-18-26(27(32-22-30-4)23(2)31-21-29-3)28(19-24-14-10-7-11-15-24)20-25-16-12-8-13-17-25/h5,7-8,10-17,23,26-27H,1,6,9,18-22H2,2-4H3/t23-,26+,27+/m0/s1
InChIKey NVUGHUKQSBWJQY-HUROMRQRSA-N
Molecular Weight 441.612 g/mol
SMILES [C@@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])(CCCC=C)[H]