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Benzoylecgonine-D3 TMS
SpectraBase Compound ID 19s1fng46vD
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/i1D3
InChIKey XJVQJFLZKCKXME-MDXNKYNFSA-N
Mol Weight 364.53 g/mol
Molecular Formula C19H24D3NO4Si
Exact Mass 364.189765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tgM0wwafmD
Name Benzoylecgonine-D3 TMS
Classification Deuterated reference standard derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 364.189765122 u
Formula C19H24D3NO4Si
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/i1D3
InChIKey XJVQJFLZKCKXME-MDXNKYNFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 364.531 g/mol
Nominal Mass 364 u
Quality 997
Retention Index 2279
SMILES [C@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C([D])([D])[D])[H])(OC(C1=CC=CC=C1)=O)[H])(C(O[Si](C)(C)C)=O)[H]
SPLASH splash10-000i-9231000000-244800759b1eeeb3e424
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl 3-(benzoyloxy)-8-(2H3)methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Technique GC/MS
Wiley ID DD2024_008695