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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82R1nalwmOV
Name (2R,4S,5R,6S)-1-benzoxy-5-hydroxy-2,4,6-trimethyl-octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]([C@@](C([C@@](COCc1ccccc1)(C)[H])=O)(C)[H])([C@](CC)(C)[H])[H]
SPLASH splash10-0006-9300000000-c44c3358d4394f712a70
Source of Spectrum QF-8-4280-22
Synonyms (2R,4S,5R,6S)-2,4,6-trimethyl-5-oxidanyl-1-phenylmethoxy-octan-3-one (2R,4S,5R,6S)-5-hydroxy-2,4,6-trimethyl-1-phenylmethoxy-3-octanone (2R,4S,5R,6S)-5-hydroxy-2,4,6-trimethyl-1-phenylmethoxyoctan-3-one
Wiley ID 1558000