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Benzoylecgonine TMS

View entire compound with spectra: 4 MS (GC)

Benzoylecgonine TMS
SpectraBase Compound ID A50ByL7nArS
InChI InChI=1S/C19H27NO4Si/c1-20-14-10-11-15(20)17(19(22)24-25(2,3)4)16(12-14)23-18(21)13-8-6-5-7-9-13/h5-9,14-17H,10-12H2,1-4H3/t14-,15+,16-,17+/m0/s1
InChIKey XJVQJFLZKCKXME-VVLHAWIVSA-N
Mol Weight 361.51 g/mol
Molecular Formula C19H27NO4Si
Exact Mass 361.170935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSiYA1FRPEY
Name Benzoylecgonine-TMS
Alternate Name(s) Benzoylecgonine, o-trimethylsilyl- 3-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid trimethylsilyl ester Trimethylsilyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Trimethylsilyl 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Trimethylsilyl 8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate
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Formula C19H27NO4Si
InChI InChI=1S/C19H27NO4Si/c1-20-14-10-11-15(20)17(19(22)24-25(2,3)4)16(12-14)23-18(21)13-8-6-5-7-9-13/h5-9,14-17H,10-12H2,1-4H3/t14-,15+,16-,17+/m0/s1
InChIKey XJVQJFLZKCKXME-VVLHAWIVSA-N
Molecular Weight 361.513 g/mol
SMILES [C@@]1([C@@]2(N(C)[C@](C[C@@]1(OC(=O)c1ccccc1)[H])(CC2)[H])[H])(C(O[Si](C)(C)C)=O)[H]
SPLASH splash10-001i-9110000000-569c4ea1aeff18f069f4
Source of Spectrum JZ-1992-1291-0
Wiley ID 1348957