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L-Homocitrulline, 3tms derivative

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L-Homocitrulline, 3tms derivative
SpectraBase Compound ID Qrk5DBK8VQ
InChI InChI=1S/C16H39N3O3Si3/c1-23(2,3)18-14(15(20)22-25(7,8)9)12-10-11-13-17-16(21)19-24(4,5)6/h14,18H,10-13H2,1-9H3,(H2,17,19,21)
InChIKey XXSOPTSLVRUOLT-UHFFFAOYSA-N
Mol Weight 405.8 g/mol
Molecular Formula C16H39N3O3Si3
Exact Mass 405.229922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9V5quNzJg9k
Name L-Homocitrulline, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 405.229921730 u
Formula C16H39N3O3Si3
InChI InChI=1S/C16H39N3O3Si3/c1-23(2,3)18-14(15(20)22-25(7,8)9)12-10-11-13-17-16(21)19-24(4,5)6/h14,18H,10-13H2,1-9H3,(H2,17,19,21)
InChIKey XXSOPTSLVRUOLT-UHFFFAOYSA-N
Molecular Weight 405.761 g/mol
SMILES C(O[Si](C)(C)C)(=O)C(N[Si](C)(C)C)CCCCNC(=O)N[Si](C)(C)C