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(4S,6S,8R)-1,8-Bis(benzyloxy)undec-10-yn-4,6-diol

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(4S,6S,8R)-1,8-Bis(benzyloxy)undec-10-yn-4,6-diol
SpectraBase Compound ID Bquo3bZDjjl
InChI InChI=1S/C25H32O4/c1-2-10-25(29-20-22-13-7-4-8-14-22)18-24(27)17-23(26)15-9-16-28-19-21-11-5-3-6-12-21/h1,3-8,11-14,23-27H,9-10,15-20H2/t23-,24-,25+/m0/s1
InChIKey FZTVYMOLTBIMHI-CCDWMCETSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxzSwjIkUdJ
Name (4S,6S,8R)-1,8-bis(Benzyloxy)undec-10-yn-4,6-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-10-25(29-20-22-13-7-4-8-14-22)18-24(27)17-23(26)15-9-16-28-19-21-11-5-3-6-12-21/h1,3-8,11-14,23-27H,9-10,15-20H2/t23-,24-,25+/m0/s1
InChIKey FZTVYMOLTBIMHI-CCDWMCETSA-N
Molecular Weight 396.527 g/mol
SMILES C(#C)C[C@](C[C@](C[C@@](O)(CCCOCC=1C=CC=CC1)[H])(O)[H])(OCC1=CC=CC=C1)[H]