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Tramadol-M (O-Desmethyl) 2AC
SpectraBase Compound ID 1Ku3wr3Bgg5
InChI InChI=1S/C19H27NO4/c1-14(21)23-18-10-7-9-16(12-18)19(24-15(2)22)11-6-5-8-17(19)13-20(3)4/h7,9-10,12,17H,5-6,8,11,13H2,1-4H3/t17-,19+/m1/s1
InChIKey QKNQCLCMWBNFAG-MJGOQNOKSA-N
Mol Weight 333.43 g/mol
Molecular Formula C19H27NO4
Exact Mass 333.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJBVtf5GIme
Name Tramadol-M (O-Desmethyl) 2AC
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 333.194008349 u
Formula C19H27NO4
InChI InChI=1S/C19H27NO4/c1-14(21)23-18-10-7-9-16(12-18)19(24-15(2)22)11-6-5-8-17(19)13-20(3)4/h7,9-10,12,17H,5-6,8,11,13H2,1-4H3/t17-,19+/m1/s1
InChIKey QKNQCLCMWBNFAG-MJGOQNOKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 333.428 g/mol
Nominal Mass 333 u
Quality 994
Retention Index 2536
SMILES [C@@]1([C@](CCCC1)(CN(C)C)[H])(C1=CC(=CC=C1)OC(=O)C)OC(=O)C
SPLASH splash10-0a4i-9100000000-93efa6cc161701dcb067
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-((1R,2R)-1-(acetyloxy)-2-((dimethylamino)methyl)cyclohexyl)phenyl acetate
Technique GC/MS
Wiley ID DD2024_033457