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1-Phenyl-15,16-epoxy-4-hydroxy-6-(benzyloxy)-hexadec-1-yne

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1-Phenyl-15,16-epoxy-4-hydroxy-6-(benzyloxy)-hexadec-1-yne
SpectraBase Compound ID 7KlHjsWXepj
InChI InChI=1S/C29H38O3/c30-27(19-13-18-25-14-7-5-8-15-25)22-28(31-23-26-16-9-6-10-17-26)20-11-3-1-2-4-12-21-29-24-32-29/h5-10,14-17,27-30H,1-4,11-12,19-24H2
InChIKey CTMLSNKDGPZSOU-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C29H38O3
Exact Mass 434.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aqCWLPQMVv
Name 1-Phenyl-15,16-epoxy-4-hydroxy-6-(benzyloxy)-hexadec-1-yne
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.282095081 u
Formula C29H38O3
InChI InChI=1S/C29H38O3/c30-27(19-13-18-25-14-7-5-8-15-25)22-28(31-23-26-16-9-6-10-17-26)20-11-3-1-2-4-12-21-29-24-32-29/h5-10,14-17,27-30H,1-4,11-12,19-24H2
InChIKey CTMLSNKDGPZSOU-UHFFFAOYSA-N
Molecular Weight 434.620 g/mol
SMILES C1OC1CCCCCCCCC(CC(CC#CC=1C=CC=CC1)O)OCC1=CC=CC=C1