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N,N'-bis[o-Tolyl]-N''-[(2-phosphonothio)ethyl]guanidine

View entire compound with spectra: 1 NMR

N,N'-bis[o-Tolyl]-N''-[(2-phosphonothio)ethyl]guanidine
SpectraBase Compound ID 74qO1L4SXBB
InChI InChI=1S/C17H22N3O3PS/c1-13-7-3-5-9-15(13)19-17(18-11-12-25-24(21,22)23)20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)(H2,21,22,23)
InChIKey YIUISBIEQYQPGZ-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C17H22N3O3PS
Exact Mass 379.11195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3F6tiWSaE3b
Name N,N'-bis[o-Tolyl]-N''-[(2-phosphonothio)ethyl]guanidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.111949749 u
Formula C17H22N3O3PS
InChI InChI=1S/C17H22N3O3PS/c1-13-7-3-5-9-15(13)19-17(18-11-12-25-24(21,22)23)20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)(H2,21,22,23)
InChIKey YIUISBIEQYQPGZ-UHFFFAOYSA-N
Molecular Weight 379.415 g/mol
SMILES C1(=CC=CC=C1C)\N=C\(NCCSP(O)(=O)O)NC1=C(C=CC=C1)C