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dl-Phenylalanine, 4-(phosphonomethyl)-, 4tms

View entire compound with spectra: 1 NMR

dl-Phenylalanine, 4-(phosphonomethyl)-, 4tms
SpectraBase Compound ID 1Lx0g4gFZ9x
InChI InChI=1S/C22H46NO5PSi4/c1-30(2,3)23-21(22(24)26-31(4,5)6)17-19-13-15-20(16-14-19)18-29(25,27-32(7,8)9)28-33(10,11)12/h13-16,21,23H,17-18H2,1-12H3
InChIKey XBQJZEWCTHYFAE-UHFFFAOYSA-N
Mol Weight 547.9 g/mol
Molecular Formula C22H46NO5PSi4
Exact Mass 547.219067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gBdFM8xe3U
Name dl-Phenylalanine, 4-(phosphonomethyl)-, 4tms
Comments Computed using HOSE algorithm
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Exact Mass 547.219066718 u
Formula C22H46NO5PSi4
InChI InChI=1S/C22H46NO5PSi4/c1-30(2,3)23-21(22(24)26-31(4,5)6)17-19-13-15-20(16-14-19)18-29(25,27-32(7,8)9)28-33(10,11)12/h13-16,21,23H,17-18H2,1-12H3
InChIKey XBQJZEWCTHYFAE-UHFFFAOYSA-N
Molecular Weight 547.926 g/mol
SMILES C[Si](OP(=O)(O[Si](C)(C)C)CC1=CC=C(C=C1)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)(C)C