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Tapentadol artifact (chloro-) AC
SpectraBase Compound ID JASyrCahSRj
InChI InChI=1S/C16H24ClNO2/c1-6-16(11(2)10-18(4)5)13-7-14(17)9-15(8-13)20-12(3)19/h7-9,11,16H,6,10H2,1-5H3
InChIKey BNUQWHCQGAQEDF-UHFFFAOYSA-N
Mol Weight 297.83 g/mol
Molecular Formula C16H24ClNO2
Exact Mass 297.149557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6aBAtv1O3lM
Name Tapentadol artifact (chloro-) AC
Classification Potent analgesic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 297.149556715 u
Formula C16H24NO2Cl
InChI InChI=1S/C16H24ClNO2/c1-6-16(11(2)10-18(4)5)13-7-14(17)9-15(8-13)20-12(3)19/h7-9,11,16H,6,10H2,1-5H3
InChIKey BNUQWHCQGAQEDF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 297.826 g/mol
SMILES c1(cc(C(C(C)CN(C)C)CC)cc(c1)Cl)OC(=O)C
SPLASH splash10-0a4i-9100000000-e377258bb10b867da7d3
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_8674