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(2S,4S,5S,6S)-2,6-Diethyl-5-hydroxy-5-methyl-3-tosyl-tetrahydro-1,3-dioxazine-4-acetic acid
SpectraBase Compound ID KzMi3vtyjrj
InChI InChI=1S/C18H27NO6S/c1-5-15-18(4,22)14(11-17(20)21)19(16(6-2)25-15)26(23,24)13-9-7-12(3)8-10-13/h7-10,14-16,22H,5-6,11H2,1-4H3,(H,20,21)/t14-,15-,16-,18-/m0/s1
InChIKey YLBUALCFOQKAMV-OVWQWFNUSA-N
Mol Weight 385.48 g/mol
Molecular Formula C18H27NO6S
Exact Mass 385.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjFZLP6wvFm
Name (2S,4S,5S,6S)-2,6-Diethyl-5-hydroxy-5-methyl-3-tosyl-tetrahydro-1,3-dioxazine-4-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO6S
InChI InChI=1S/C18H27NO6S/c1-5-15-18(4,22)14(11-17(20)21)19(16(6-2)25-15)26(23,24)13-9-7-12(3)8-10-13/h7-10,14-16,22H,5-6,11H2,1-4H3,(H,20,21)/t14-,15-,16-,18-/m0/s1
InChIKey YLBUALCFOQKAMV-OVWQWFNUSA-N
Molecular Weight 385.475 g/mol
SMILES O[C@@]1([C@@](O[C@](N([C@]1(CC(=O)O)[H])S(c1ccc(cc1)C)(=O)=O)(CC)[H])(CC)[H])C
SPLASH splash10-0a4l-7419000000-2167dbe38e9350f3a956
Source of Spectrum F-52-3151-21
Synonyms 2,6-Diethyl-5-hydroxy-5-methyl-3-tosyltetrahydro-1,3-dioxazine-4-acetatic acid {(2S,4S,5S,6S)-2,6-diethyl-5-hydroxy-5-methyl-3-[(4-methylphenyl)sulfonyl]tetrahydro-2H-1,3-oxazin-4-yl}acetic acid
Wiley ID 795632