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(1R,6R)-1-acetoxy-6-(benzyloxy)-1-phenylheptan-4-one

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

(1R,6R)-1-acetoxy-6-(benzyloxy)-1-phenylheptan-4-one
SpectraBase Compound ID BNHNTY1FusA
InChI InChI=1S/C22H26O4/c1-17(25-16-19-9-5-3-6-10-19)15-21(24)13-14-22(26-18(2)23)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3/t17-,22-/m1/s1
InChIKey LTMQLALICZWAQI-VGOFRKELSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LR8CxlCtJVF
Name (1R,6R)-1-Acetoxy-6-(benzyloxy)-1-phenylheptan-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-17(25-16-19-9-5-3-6-10-19)15-21(24)13-14-22(26-18(2)23)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3/t17-,22-/m1/s1
InChIKey LTMQLALICZWAQI-VGOFRKELSA-N
Molecular Weight 354.446 g/mol
SMILES C(O[C@](CCC(C[C@](OCC=1C=CC=CC1)(C)[H])=O)(C1=CC=CC=C1)[H])(=O)C