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(2R,6R)-2-[(2S,4S)-4-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]-2,6-dimethyl-cyclohexan-1-one
SpectraBase Compound ID Cv9sLh8B77f
InChI InChI=1S/C20H29NO4S/c1-5-16-13-25-19(20(4)12-6-7-15(3)18(20)22)21(16)26(23,24)17-10-8-14(2)9-11-17/h8-11,15-16,19H,5-7,12-13H2,1-4H3/t15-,16+,19+,20+/m1/s1
InChIKey IOYVLSHZUVRMKR-LPWQTFTOSA-N
Mol Weight 379.52 g/mol
Molecular Formula C20H29NO4S
Exact Mass 379.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID brfejza9Fw
Name (2R,6R)-2-[(2S,4S)-4-ethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]-2,6-dimethyl-cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO4S
InChI InChI=1S/C20H29NO4S/c1-5-16-13-25-19(20(4)12-6-7-15(3)18(20)22)21(16)26(23,24)17-10-8-14(2)9-11-17/h8-11,15-16,19H,5-7,12-13H2,1-4H3/t15-,16+,19+,20+/m1/s1
InChIKey IOYVLSHZUVRMKR-LPWQTFTOSA-N
Molecular Weight 379.515 g/mol
SMILES c1(S(N2[C@]([C@@]3(C(=O)[C@](C)(CCC3)[H])C)(OC[C@@]2(CC)[H])[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0udl-5390000000-f04e4c776084cfb02768
Source of Spectrum K1-2001-651-8
Synonyms (2R,6R)-2-[(2S,4S)-4-ethyl-3-(4-methylphenyl)sulfonyl-2-oxazolidinyl]-2,6-dimethyl-1-cyclohexanone (2R,6R)-2-[(2S,4S)-4-ethyl-3-(p-tolylsulfonyl)oxazolidin-2-yl]-2,6-dimethyl-cyclohexanone (2R,6R)-2-[(2S,4S)-4-ethyl-3-tosyl-oxazolidin-2-yl]-2,6-dimethyl-cyclohexanone
Wiley ID 846862