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(.+/-.)-octopamine, 3tbdms derivative

View entire compound with spectra: 1 NMR

(.+/-.)-octopamine, 3tbdms derivative
SpectraBase Compound ID IZWF3xtj49R
InChI InChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-20-23(29-32(14,15)26(7,8)9)21-16-18-22(19-17-21)28-31(12,13)25(4,5)6/h16-19,23,27H,20H2,1-15H3
InChIKey VMCUKEOANIDKGE-UHFFFAOYSA-N
Mol Weight 496.0 g/mol
Molecular Formula C26H53NO2Si3
Exact Mass 495.33841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDXpAYvXZUu
Name (.+/-.)-octopamine, 3tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 495.338409554 u
Formula C26H53NO2Si3
InChI InChI=1S/C26H53NO2Si3/c1-24(2,3)30(10,11)27-20-23(29-32(14,15)26(7,8)9)21-16-18-22(19-17-21)28-31(12,13)25(4,5)6/h16-19,23,27H,20H2,1-15H3
InChIKey VMCUKEOANIDKGE-UHFFFAOYSA-N
Molecular Weight 495.970 g/mol
SMILES C1=C(C=CC(=C1)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CN[Si](C)(C)C(C)(C)C