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(S(S),R)-(+)-o,o-diethyl-N-(para-toluenesulfinyl)-2-amino-2-N-butylethyl-phosphonate

View entire compound with spectra: 2 NMR

(S(S),R)-(+)-o,o-diethyl-N-(para-toluenesulfinyl)-2-amino-2-N-butylethyl-phosphonate
SpectraBase Compound ID 4uqa84lJ7uF
InChI InChI=1S/C17H30NO4PS/c1-6-9-14-17(5,23(19,21-7-2)22-8-3)18-24(20)16-12-10-15(4)11-13-16/h10-13,18H,6-9,14H2,1-5H3/t17-,24?/m1/s1
InChIKey MRDCJAJJMQAAFA-BPNWFJGMSA-N
Mol Weight 375.46 g/mol
Molecular Formula C17H30NO4PS
Exact Mass 375.163317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjnmKYmjfXV
Name (S(S),R)-(+)-o,o-diethyl-N-(para-toluenesulfinyl)-2-amino-2-N-butylethyl-phosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.163316618 u
Formula C17H30NO4PS
InChI InChI=1S/C17H30NO4PS/c1-6-9-14-17(5,23(19,21-7-2)22-8-3)18-24(20)16-12-10-15(4)11-13-16/h10-13,18H,6-9,14H2,1-5H3/t17-,24?/m1/s1
InChIKey MRDCJAJJMQAAFA-BPNWFJGMSA-N
Molecular Weight 375.464 g/mol
SMILES C1(S(=O)N[C@](C)(P(=O)(OCC)OCC)CCCC)=CC=C(C=C1)C