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(S)-[3-(TERT.-BUTOXYCARBONYLAMINO)-4-[(1S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYLOXY)-4-OXOBUTYL]-DIMETHYLSULFONIUM-IODIDE
SpectraBase Compound ID 9lHCzR7mgEN
InChI InChI=1S/C21H39NO4S.HI/c1-14(2)16-10-9-15(3)13-18(16)25-19(23)17(11-12-27(7)8)22-20(24)26-21(4,5)6;/h14-18H,9-13H2,1-8H3;1H/t15-,16+,17+,18-;/m1./s1
InChIKey AFWBJAYWXLGLRO-IXPUNYJSSA-N
Mol Weight 529.5 g/mol
Molecular Formula C21H40INO4S
Exact Mass 529.172275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UMSzHSKPhT
Name (S)-[3-(TERT.-BUTOXYCARBONYLAMINO)-4-[(1S,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYLOXY)-4-OXOBUTYL]-DIMETHYLSULFONIUM-IODIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H40INO4S
InChI InChI=1S/C21H39NO4S.HI/c1-14(2)16-10-9-15(3)13-18(16)25-19(23)17(11-12-27(7)8)22-20(24)26-21(4,5)6;/h14-18H,9-13H2,1-8H3;1H/t15-,16+,17+,18-;/m1./s1
InChIKey AFWBJAYWXLGLRO-IXPUNYJSSA-N
Literature Reference Author A.GRAUER,B.KOENIG
Literature Reference Citation MOLBANK,M594(2009)
Molecular Weight 529.517 g/mol
Solvent CDCl3
Source File Reference UWLU83060