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Tramadol-A (-H2O)
SpectraBase Compound ID 1M6A9wcTT2O
InChI InChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-11,14H,4-5,7,12H2,1-3H3/t14-/m1/s1
InChIKey NLNQAKPOVVMNEG-CQSZACIVSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGCxPxIQb32
Name Tramadol-A (-H2O)
Classification Pharmaceutical drug, analgesic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3/h6,8-11,14H,4-5,7,12H2,1-3H3/t14-/m1/s1
InChIKey NLNQAKPOVVMNEG-CQSZACIVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.366 g/mol
Nominal Mass 245 u
Quality 991
Retention Index 1921
SMILES C=1([C@@](CN(C)C)(CCCC1)[H])C1=CC(=CC=C1)OC
SPLASH splash10-0a4i-9100000000-428eca90e79bf8807266
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ((2S)-3'-methoxy[2,3,4,5-tetrahydro-1,1'-biphenyl]-2-yl)-N,N-dimethylmethanamine
Technique GC/MS
Wiley ID DD2024_033788