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N-Phosphonomethylglycine tris(cyclohexylammonium) salt

View entire compound with spectra: 2 NMR

N-Phosphonomethylglycine tris(cyclohexylammonium) salt
SpectraBase Compound ID 4bZYAbhyU5
InChI InChI=1S/3C6H13N.C3H8NO5P/c3*7-6-4-2-1-3-5-6;5-3(6)1-4-2-10(7,8)9/h3*6H,1-5,7H2;4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey MKGOBKDQUASQHZ-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C21H47N4O5P
Exact Mass 466.328408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bo4gLOGgU9n
Name N-Phosphonomethylglycine tris(cyclohexylammonium) salt
Comments Computed using HOSE algorithm
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Exact Mass 466.328407622 u
Formula C21H47N4O5P
InChI InChI=1S/3C6H13N.C3H8NO5P/c3*7-6-4-2-1-3-5-6;5-3(6)1-4-2-10(7,8)9/h3*6H,1-5,7H2;4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey MKGOBKDQUASQHZ-UHFFFAOYSA-N
Molecular Weight 466.604 g/mol
SMILES C1(CCCCC1)[NH3+].N(CP(=O)([O-])[O-])CC(=O)[O-].C1CCC(CC1)[NH3+].C1(CCCCC1)[NH3+]