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(4R,5R)-4,5-bis(phenylmethoxy)-6-heptenoic acid tert-butyl ester

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

(4R,5R)-4,5-bis(phenylmethoxy)-6-heptenoic acid tert-butyl ester
SpectraBase Compound ID LDDQyoWOkt5
InChI InChI=1S/C25H32O4/c1-5-22(27-18-20-12-8-6-9-13-20)23(16-17-24(26)29-25(2,3)4)28-19-21-14-10-7-11-15-21/h5-15,22-23H,1,16-19H2,2-4H3/t22-,23-/m1/s1
InChIKey LQYDSPBAPRYTIE-DHIUTWEWSA-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 BJXuCFv7OG5
Name (4R,5R)-4,5-bis(Phenylmethoxy)-6-heptenoic acid tert-butyl ester
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/c1-5-22(27-18-20-12-8-6-9-13-20)23(16-17-24(26)29-25(2,3)4)28-19-21-14-10-7-11-15-21/h5-15,22-23H,1,16-19H2,2-4H3/t22-,23-/m1/s1
InChIKey LQYDSPBAPRYTIE-DHIUTWEWSA-N
Molecular Weight 396.527 g/mol
SMILES C(CC[C@]([C@@](C=C)(OCC=1C=CC=CC1)[H])(OCC=1C=CC=CC1)[H])(=O)OC(C)(C)C