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4-tert-Butyl-3-(1-oxo-3-butyl-5-methyl-6-(1,3-dioxan-2-yl)hexyl)-1,3-oxazolidin-2-one
SpectraBase Compound ID 5lMVZQXjpAD
InChI InChI=1S/C22H39NO5/c1-6-7-9-17(12-16(2)13-20-26-10-8-11-27-20)14-19(24)23-18(22(3,4)5)15-28-21(23)25/h16-18,20H,6-15H2,1-5H3/t16-,17+,18+/m0/s1
InChIKey ACBCCVDITCORSR-RCCFBDPRSA-N
Mol Weight 397.6 g/mol
Molecular Formula C22H39NO5
Exact Mass 397.282823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly1o1zJbwjS
Name 4-tert-Butyl-3-(1-oxo-3-butyl-5-methyl-6-(1,3-dioxan-2-yl)hexyl)-1,3-oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39NO5
InChI InChI=1S/C22H39NO5/c1-6-7-9-17(12-16(2)13-20-26-10-8-11-27-20)14-19(24)23-18(22(3,4)5)15-28-21(23)25/h16-18,20H,6-15H2,1-5H3/t16-,17+,18+/m0/s1
InChIKey ACBCCVDITCORSR-RCCFBDPRSA-N
Molecular Weight 397.556 g/mol
SMILES C(N1C(OC[C@@]1(C(C)(C)C)[H])=O)(C[C@@](C[C@@](CC1OCCCO1)(C)[H])(CCCC)[H])=O
SPLASH splash10-01p9-7090000000-c06055126756f9888266
Source of Spectrum SO-0-1692-11
Synonyms (S)-4-tert-Butyl-3-[(R)-3-((S)-3-[1,3]dioxan-2-yl-2-methyl-propyl)-heptanoyl]-oxazolidin-2-one 4-tert-Butyl-3-{3-[3-(1,3-dioxan-2-yl)-2-methylpropyl]heptanoyl}-1,3-oxazolidin-2-one (4S)-4-tert-butyl-3-[(3R)-3-[(2S)-3-(1,3-dioxan-2-yl)-2-methylpropyl]-1-oxoheptyl]-2-oxazolidinone (4S)-4-tert-butyl-3-[(3R)-3-[(2S)-3-(1,3-dioxan-2-yl)-2-methylpropyl]heptanoyl]-1,3-oxazolidin-2-one (4S)-4-tert-butyl-3-[(3R)-3-[(2S)-3-(1,3-dioxan-2-yl)-2-methyl-propyl]heptanoyl]-1,3-oxazolidin-2-one
Wiley ID 878135