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[S(p)S(C)]-Ethyl-methyl-N-(1-phenylethyl)-phosphoramidothionate;major-epimer

View entire compound with spectra: 3 NMR

[S(p)S(C)]-Ethyl-methyl-N-(1-phenylethyl)-phosphoramidothionate;major-epimer
SpectraBase Compound ID 7lMDTukDdZ5
InChI InChI=1S/C11H18NO2PS/c1-4-14-15(16,13-3)12-10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,12,16)/t10-,15?/m0/s1
InChIKey WLCGCYXXCLWTQE-MYHCZTBNSA-N
Mol Weight 259.3 g/mol
Molecular Formula C11H18NO2PS
Exact Mass 259.079587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID An07Eff4kMA
Name [S(p)S(C)]-Ethyl-methyl-N-(1-phenylethyl)-phosphoramidothionate;major-epimer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.079586994 u
Formula C11H18NO2PS
InChI InChI=1S/C11H18NO2PS/c1-4-14-15(16,13-3)12-10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,12,16)/t10-,15?/m0/s1
InChIKey WLCGCYXXCLWTQE-MYHCZTBNSA-N
Molecular Weight 259.304 g/mol
SMILES COP(=S)(N[C@@](C)(C1=CC=CC=C1)[H])OCC