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(4S)-4-[(3R,4S)-3-hydroxy-4-(4-methoxyphenoxy)hex-5-enyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester
SpectraBase Compound ID H5D4rqxRh02
InChI InChI=1S/C23H35NO6/c1-8-20(29-18-12-10-17(27-7)11-13-18)19(25)14-9-16-15-28-23(5,6)24(16)21(26)30-22(2,3)4/h8,10-13,16,19-20,25H,1,9,14-15H2,2-7H3/t16-,19+,20-/m0/s1
InChIKey FVICZORGFGAJMO-DBVUQKKJSA-N
Mol Weight 421.5 g/mol
Molecular Formula C23H35NO6
Exact Mass 421.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3Fsbh9T5Yx
Name (4S)-4-[(3R,4S)-3-Hydroxy-4-(4-methoxyphenoxy)hex-5-enyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.246437845 u
Formula C23H35NO6
InChI InChI=1S/C23H35NO6/c1-8-20(29-18-12-10-17(27-7)11-13-18)19(25)14-9-16-15-28-23(5,6)24(16)21(26)30-22(2,3)4/h8,10-13,16,19-20,25H,1,9,14-15H2,2-7H3/t16-,19+,20-/m0/s1
InChIKey FVICZORGFGAJMO-DBVUQKKJSA-N
Molecular Weight 421.534 g/mol
SMILES C(N1C(OC[C@@]1(CC[C@]([C@@](OC1=CC=C(C=C1)OC)(C=C)[H])(O)[H])[H])(C)C)(OC(C)(C)C)=O