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(2R,4S,5R)-4-Allyl-2-(4-methoxyphenyl)[1,3]dioxan-5-yl hex-5-enoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,4S,5R)-4-Allyl-2-(4-methoxyphenyl)[1,3]dioxan-5-yl hex-5-enoate
SpectraBase Compound ID 2RMIuCdRXEr
InChI InChI=1S/C20H26O5/c1-4-6-7-9-19(21)24-18-14-23-20(25-17(18)8-5-2)15-10-12-16(22-3)13-11-15/h4-5,10-13,17-18,20H,1-2,6-9,14H2,3H3/t17-,18+,20+/m0/s1
InChIKey GAEWYFHPGQPJIS-NLWGTHIKSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZsa5AFjFpN
Name (2R,4S,5R)-4-Allyl-2-(4-methoxyphenyl)[1,3]dioxan-5-yl hex-5-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.178023932 u
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-4-6-7-9-19(21)24-18-14-23-20(25-17(18)8-5-2)15-10-12-16(22-3)13-11-15/h4-5,10-13,17-18,20H,1-2,6-9,14H2,3H3/t17-,18+,20+/m0/s1
InChIKey GAEWYFHPGQPJIS-NLWGTHIKSA-N
Molecular Weight 346.423 g/mol
SMILES C(CCCC=C)(=O)O[C@]1([C@@](O[C@@](OC1)(C=1C=CC(=CC1)OC)[H])(CC=C)[H])[H]