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(2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxy-3-phenyl-propyl]-6-methyl-1,3-dioxan-4-one

View entire compound with spectra: 1 MS (GC)

(2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxy-3-phenyl-propyl]-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID HNe1UzYhl2e
InChI InChI=1S/C18H26O4/c1-12-15(16(20)22-17(21-12)18(2,3)4)14(19)11-10-13-8-6-5-7-9-13/h5-9,12,14-15,17,19H,10-11H2,1-4H3/t12-,14+,15+,17-/m1/s1
InChIKey ORTORPISLKUAAQ-VWNJHIHFSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuQRwX58gcK
Name (2R,5R,6R)-2-tert-butyl-5-[(1S)-1-hydroxy-3-phenyl-propyl]-6-methyl-1,3-dioxan-4-one
CAS Registry Number 129287-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-12-15(16(20)22-17(21-12)18(2,3)4)14(19)11-10-13-8-6-5-7-9-13/h5-9,12,14-15,17,19H,10-11H2,1-4H3/t12-,14+,15+,17-/m1/s1
InChIKey ORTORPISLKUAAQ-VWNJHIHFSA-N
Molecular Weight 306.402 g/mol
SMILES O[C@]([C@]1(C(O[C@](C(C)(C)C)(O[C@@]1(C)[H])[H])=O)[H])(CCc1ccccc1)[H]
SPLASH splash10-0673-9300000000-1dd4af26496a5016bdd6
Source of Spectrum K-123-2419-6
Synonyms (2R,5R,6R)-2-tert-butyl-6-methyl-5-[(1S)-1-oxidanyl-3-phenyl-propyl]-1,3-dioxan-4-one
Wiley ID 1308228