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Atropine, tbdms derivative

View entire compound with spectra: 1 NMR

Atropine, tbdms derivative
SpectraBase Compound ID KzKLMydvs2K
InChI InChI=1S/C23H37NO3Si/c1-23(2,3)28(5,6)26-16-21(17-10-8-7-9-11-17)22(25)27-20-14-18-12-13-19(15-20)24(18)4/h7-11,18-21H,12-16H2,1-6H3/t18-,19+,20+,21?
InChIKey XVCMSYBIFAADGK-LUQWZTMUSA-N
Mol Weight 403.6 g/mol
Molecular Formula C23H37NO3Si
Exact Mass 403.254271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EROTB9UpNXO
Name Atropine, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 403.254270587 u
Formula C23H37NO3Si
InChI InChI=1S/C23H37NO3Si/c1-23(2,3)28(5,6)26-16-21(17-10-8-7-9-11-17)22(25)27-20-14-18-12-13-19(15-20)24(18)4/h7-11,18-21H,12-16H2,1-6H3/t18-,19+,20+,21?
InChIKey XVCMSYBIFAADGK-LUQWZTMUSA-N
Molecular Weight 403.638 g/mol
SMILES [C@]12(CC[C@](N2C)(C[C@](C1)(OC(=O)C(CO[Si](C)(C)C(C)(C)C)C1=CC=CC=C1)[H])[H])[H]