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METHYL-3-(1H-IMIDAZOL-4-YL)-2-[(7-METHOXY-3-SULFIDO-1,5-DIHYDRO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-AMINO]-PROPANOATE
SpectraBase Compound ID FMA9ydpDCOQ
InChI InChI=1S/C16H20N3O5PS/c1-21-14-4-3-11-8-23-25(26,24-9-12(11)5-14)19-15(16(20)22-2)6-13-7-17-10-18-13/h3-5,7,10,15H,6,8-9H2,1-2H3,(H,17,18)(H,19,26)
InChIKey ADOFEBITUDATKB-UHFFFAOYSA-N
Mol Weight 397.39 g/mol
Molecular Formula C16H20N3O5PS
Exact Mass 397.086129 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8L0FRipJScS
Name METHYL-3-(1H-IMIDAZOL-4-YL)-2-[(7-METHOXY-3-SULFIDO-1,5-DIHYDRO-2,4,3-BENZODIOXAPHOSPHEPIN-3-YL)-AMINO]-PROPANOATE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N3O5PS
InChI InChI=1S/C16H20N3O5PS/c1-21-14-4-3-11-8-23-25(26,24-9-12(11)5-14)19-15(16(20)22-2)6-13-7-17-10-18-13/h3-5,7,10,15H,6,8-9H2,1-2H3,(H,17,18)(H,19,26)
InChIKey ADOFEBITUDATKB-UHFFFAOYSA-N
Literature Reference Author C.R.RANI,G.C.S.REDDY,C.S.SUNDAR,K.U.M.RAO,K.S.KUMAR,C.S.REDD Y
Literature Reference Citation ORG.COMMUN.,4,67(2011)
Solvent DMSO-D6
Source File Reference UWIR13853