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Benzoylnorecgonine, trimethylsilyl ester

View entire compound with spectra: 1 NMR

Benzoylnorecgonine, trimethylsilyl ester
SpectraBase Compound ID Hoj4NBcUD3E
InChI InChI=1S/C18H25NO4Si/c1-24(2,3)23-18(21)16-14-10-9-13(19-14)11-15(16)22-17(20)12-7-5-4-6-8-12/h4-8,13-16,19H,9-11H2,1-3H3/t13-,14+,15-,16+/m0/s1
InChIKey CYPNFGDKIRAYBX-XUWVNRHRSA-N
Mol Weight 347.49 g/mol
Molecular Formula C18H25NO4Si
Exact Mass 347.155285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AITaXiozfMh
Name Benzoylnorecgonine, trimethylsilyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.155284820 u
Formula C18H25NO4Si
InChI InChI=1S/C18H25NO4Si/c1-24(2,3)23-18(21)16-14-10-9-13(19-14)11-15(16)22-17(20)12-7-5-4-6-8-12/h4-8,13-16,19H,9-11H2,1-3H3/t13-,14+,15-,16+/m0/s1
InChIKey CYPNFGDKIRAYBX-XUWVNRHRSA-N
Molecular Weight 347.486 g/mol
SMILES C1C[C@@]2([C@@](C(=O)O[Si](C)(C)C)([C@](C[C@]1(N2)[H])(OC(=O)C1=CC=CC=C1)[H])[H])[H]