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BIS-[ETHYL-N-(1-MERCAPTO-4-METHYL-PENT-2-YL)-PHENYL-PHOSPHONAMIDATE];R=C6H5,R'=ISO-C4H9
SpectraBase Compound ID 98iXBtnOzNi
InChI InChI=1S/C28H46N2O4P2S2/c1-7-33-35(31,27-15-11-9-12-16-27)29-25(19-23(3)4)21-37-38-22-26(20-24(5)6)30-36(32,34-8-2)28-17-13-10-14-18-28/h9-18,23-26H,7-8,19-22H2,1-6H3,(H,29,31)(H,30,32)/t25-,26-,35?,36?/m0/s1
InChIKey JFLIAZZYNRLJLW-HYMYSCBXSA-N
Mol Weight 600.8 g/mol
Molecular Formula C28H46N2O4P2S2
Exact Mass 600.237424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1PcHG7xAAKO
Name BIS-[ETHYL-N-(1-MERCAPTO-4-METHYL-PENT-2-YL)-PHENYL-PHOSPHONAMIDATE];R=C6H5,R'=ISO-C4H9
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H46N2O4P2S2
InChI InChI=1S/C28H46N2O4P2S2/c1-7-33-35(31,27-15-11-9-12-16-27)29-25(19-23(3)4)21-37-38-22-26(20-24(5)6)30-36(32,34-8-2)28-17-13-10-14-18-28/h9-18,23-26H,7-8,19-22H2,1-6H3,(H,29,31)(H,30,32)/t25-,26-,35?,36?/m0/s1
InChIKey JFLIAZZYNRLJLW-HYMYSCBXSA-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 600.752 g/mol
Solvent CDCl3
Source File Reference UWIR8654