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Ethyl 2-{(1S,6R)-1-(2,3-Dimethoxyphenyl)-6-[(S)-3-methyl-2-oxooxazolidin-4-yl])cyclohex-2-enyl}acetate
SpectraBase Compound ID 85NK4XeDcVY
InChI InChI=1S/C22H29NO6/c1-5-28-19(24)13-22(16-10-8-11-18(26-3)20(16)27-4)12-7-6-9-15(22)17-14-29-21(25)23(17)2/h7-8,10-12,15,17H,5-6,9,13-14H2,1-4H3/t15-,17?,22+/m0/s1
InChIKey LMXAFVUUFCZBFU-SSMNUEENSA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 515S6Df7pmL
Name Ethyl 2-{(1S,6R)-1-(2,3-Dimethoxyphenyl)-6-[(S)-3-methyl-2-oxooxazolidin-4-yl])cyclohex-2-enyl}acetate
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821371
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-5-28-19(24)13-22(16-10-8-11-18(26-3)20(16)27-4)12-7-6-9-15(22)17-14-29-21(25)23(17)2/h7-8,10-12,15,17H,5-6,9,13-14H2,1-4H3/t15-,17?,22+/m0/s1
InChIKey LMXAFVUUFCZBFU-SSMNUEENSA-N
Molecular Weight 403.475 g/mol
SMILES [C@]1(c2c(c(OC)ccc2)OC)([C@](C2N(C(=O)OC2)C)(CCC=C1)[H])CC(=O)OCC
SPLASH splash10-001i-9100000000-ff1548d2fbe4368bb0b9
Source of Spectrum F4-24-372-9
Synonyms Ethyl 2-{(1S,6R)-1-(2,3-Dimethoxyphenyl)-6-[(S)-3-methyl-2-oxooxazolidin-4-yl]cyclohex-2-enyl}acetate Ethyl 2-((1S,2R)-2',3'-dimethoxy-2-(3-methyl-2-oxooxazolidin-4-yl)-1,2,3,4-tetrahydro-[1,1'-biphenyl]-1-yl)acetate
Wiley ID 1741685