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(2R,5S,6S)-5-allyl-5-ethyl-6-butyl-2-t-butyl-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 4fCfnUHiTtQ
InChI InChI=1S/C18H32O3/c1-8-11-13-17(7)18(10-3,12-9-2)14(19)20-15(21-17)16(4,5)6/h9,15H,2,8,10-13H2,1,3-7H3/t15-,17-,18+/m0/s1
InChIKey NCOMBHJXNCRJKV-RYQLBKOJSA-N
Mol Weight 296.5 g/mol
Molecular Formula C18H32O3
Exact Mass 296.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yVK9REITEg
Name (2R,5S,6S)-5-allyl-5-ethyl-6-butyl-2-t-butyl-6-methyl-1,3-dioxan-4-one
CAS Registry Number 134528-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3
InChI InChI=1S/C18H32O3/c1-8-11-13-17(7)18(10-3,12-9-2)14(19)20-15(21-17)16(4,5)6/h9,15H,2,8,10-13H2,1,3-7H3/t15-,17-,18+/m0/s1
InChIKey NCOMBHJXNCRJKV-RYQLBKOJSA-N
Molecular Weight 296.451 g/mol
SMILES [C@@]1(C(O[C@@](O[C@]1(CCCC)C)(C(C)(C)C)[H])=O)(CC=C)CC
SPLASH splash10-00kf-9300000000-d82e4b3f69d0d3533330
Source of Spectrum K-124-1842-20
Synonyms (2R,5S,6S)-5-allyl-6-butyl-2-tert-butyl-5-ethyl-6-methyl-1,3-dioxan-4-one
Wiley ID 1299418