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(2R,4S,5R,6S)-1-benzoxy-5-hydroxy-2,4,6-trimethyl-octan-3-one

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(2R,4S,5R,6S)-1-benzoxy-5-hydroxy-2,4,6-trimethyl-octan-3-one
SpectraBase Compound ID Kn7qvdJch3K
InChI InChI=1S/C18H28O3/c1-5-13(2)17(19)15(4)18(20)14(3)11-21-12-16-9-7-6-8-10-16/h6-10,13-15,17,19H,5,11-12H2,1-4H3/t13-,14+,15-,17+/m0/s1
InChIKey URSJNKPGSZWLNM-QSJFSLAZSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ndtv9Nqlz6
Name (2R,4S,5R,6S)-1-Benzoxy-5-hydroxy-2,4,6-trimethyl-octan-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.203844759 u
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-5-13(2)17(19)15(4)18(20)14(3)11-21-12-16-9-7-6-8-10-16/h6-10,13-15,17,19H,5,11-12H2,1-4H3/t13-,14+,15-,17+/m0/s1
InChIKey URSJNKPGSZWLNM-QSJFSLAZSA-N
Molecular Weight 292.419 g/mol
SMILES [C@](C([C@@](COCC=1C=CC=CC1)(C)[H])=O)([C@@]([C@](CC)(C)[H])(O)[H])(C)[H]