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Pentazocine, tert-butyldimethylsilyl ether

View entire compound with spectra: 1 NMR

Pentazocine, tert-butyldimethylsilyl ether
SpectraBase Compound ID 5oQgsYljZce
InChI InChI=1S/C25H41NOSi/c1-18(2)12-14-26-15-13-25(7)19(3)23(26)16-20-10-11-21(17-22(20)25)27-28(8,9)24(4,5)6/h10-12,17,19,23H,13-16H2,1-9H3/t19?,23-,25-/m0/s1
InChIKey VRCIJXZVUQXJFT-DTFKUICFSA-N
Mol Weight 399.7 g/mol
Molecular Formula C25H41NOSi
Exact Mass 399.295741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzYwQgyIwTB
Name Pentazocine, tert-butyldimethylsilyl ether
Comments Computed using HOSE algorithm
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Exact Mass 399.295741478 u
Formula C25H41NOSi
InChI InChI=1S/C25H41NOSi/c1-18(2)12-14-26-15-13-25(7)19(3)23(26)16-20-10-11-21(17-22(20)25)27-28(8,9)24(4,5)6/h10-12,17,19,23H,13-16H2,1-9H3/t19?,23-,25-/m0/s1
InChIKey VRCIJXZVUQXJFT-DTFKUICFSA-N
Molecular Weight 399.694 g/mol
SMILES C(N1CC[C@]2(C([C@@]1(CC1=C2C=C(O[Si](C)(C(C)(C)C)C)C=C1)[H])C)C)C=C(C)C