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ETHYL-N-(1-MERCAPTO-4-METHYL-PENT-2-YL)-PHENYL-PHOSPHONAMIDATE;R=C6H5,R'=ISO-C4H9;[R(P),S(C)]+[S(P),S(C)];MIXTURE
SpectraBase Compound ID GDHJlW2wKT4
InChI InChI=1S/2C14H24NO2PS/c2*1-4-17-18(16,14-8-6-5-7-9-14)15-13(11-19)10-12(2)3/h2*5-9,12-13,19H,4,10-11H2,1-3H3,(H,15,16)/t2*13-,18?/m00/s1
InChIKey KJVMLCGVTLBJQJ-FLQBAIRFSA-N
Mol Weight 602.77 g/mol
Molecular Formula C28H48N2O4P2S2
Exact Mass 602.253074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSnHtOSrDDo
Name ETHYL-N-(1-MERCAPTO-4-METHYL-PENT-2-YL)-PHENYL-PHOSPHONAMIDATE;R=C6H5,R'=ISO-C4H9;[R(P),S(C)]+[S(P),S(C)];MIXTURE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H48N2O4P2S2
InChI InChI=1S/2C14H24NO2PS/c2*1-4-17-18(16,14-8-6-5-7-9-14)15-13(11-19)10-12(2)3/h2*5-9,12-13,19H,4,10-11H2,1-3H3,(H,15,16)/t2*13-,18?/m00/s1
InChIKey KJVMLCGVTLBJQJ-FLQBAIRFSA-N
Literature Reference Author A.HIRASHIMA,M.ETO
Literature Reference Citation AGR.BIOL.CHEM.,47,829(1983)
Literature Reference DOI 10.1271/bbb1961.47.829
Molecular Weight 602.768 g/mol
Solvent CDCl3
Source File Reference UWIR8652