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(2R)-2-{2-(Benzyloxy)-4-[4-(benzyloxy)-3-methoxyphenyl]butyl}oxirane
SpectraBase Compound ID 55oLibiEFBg
InChI InChI=1S/C27H30O4/c1-28-27-16-21(13-15-26(27)31-19-23-10-6-3-7-11-23)12-14-24(17-25-20-30-25)29-18-22-8-4-2-5-9-22/h2-11,13,15-16,24-25H,12,14,17-20H2,1H3/t24?,25-/m1/s1
InChIKey JYYNBRKKKQABOL-WUBHUQEYSA-N
Mol Weight 418.53 g/mol
Molecular Formula C27H30O4
Exact Mass 418.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Htx0tG9XMSd
Name (2R)-2-{2-(Benzyloxy)-4-[4-(benzyloxy)-3-methoxyphenyl]butyl}oxirane
Comments Computed using HOSE algorithm
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Exact Mass 418.214409442 u
Formula C27H30O4
InChI InChI=1S/C27H30O4/c1-28-27-16-21(13-15-26(27)31-19-23-10-6-3-7-11-23)12-14-24(17-25-20-30-25)29-18-22-8-4-2-5-9-22/h2-11,13,15-16,24-25H,12,14,17-20H2,1H3/t24?,25-/m1/s1
InChIKey JYYNBRKKKQABOL-WUBHUQEYSA-N
Molecular Weight 418.533 g/mol
SMILES C=1C=C(CCC(C[C@@]2(CO2)[H])OCC2=CC=CC=C2)C=C(C1OCC=1C=CC=CC1)OC