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METHYL_2-[(S)-1-[[(2R,3S)-7,7-DICHLORO-3-HYDROXY-2-METHYLOCTANOYL]-OXY]-THIAZOLE-4-CARBOXYLATE
SpectraBase Compound ID GsLA9RMgkpl
InChI InChI=1S/C18H27Cl2NO5S/c1-10(2)14(15-21-12(9-27-15)17(24)25-5)26-16(23)11(3)13(22)7-6-8-18(4,19)20/h9-11,13-14,22H,6-8H2,1-5H3/t11-,13+,14+/m1/s1
InChIKey BALOLANJKXDLTC-XBFCOCLRSA-N
Mol Weight 440.38 g/mol
Molecular Formula C18H27Cl2NO5S
Exact Mass 439.0987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DYmRoVmpPT
Name METHYL_2-[(S)-1-[[(2R,3S)-7,7-DICHLORO-3-HYDROXY-2-METHYLOCTANOYL]-OXY]-THIAZOLE-4-CARBOXYLATE
Compound Number 1 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27Cl2NO5S
InChI InChI=1S/C18H27Cl2NO5S/c1-10(2)14(15-21-12(9-27-15)17(24)25-5)26-16(23)11(3)13(22)7-6-8-18(4,19)20/h9-11,13-14,22H,6-8H2,1-5H3/t11-,13+,14+/m1/s1
InChIKey BALOLANJKXDLTC-XBFCOCLRSA-N
Literature Reference Author H.SONE,T.KONDO,M.KITYU,H.ISHIWATA,M.OJIKA,K.YAMADA
Literature Reference Citation J.ORG.CHEM.,60,4774(1995)
Literature Reference DOI 10.1021/jo00120a021
Molecular Weight 440.382 g/mol
Solvent CDCl3
Source File Reference UWMZ2317