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Tapentadol
SpectraBase Compound ID AUhL0rEIsfI
InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3
InChIKey KWTWDQCKEHXFFR-UHFFFAOYSA-N
Mol Weight 221.34 g/mol
Molecular Formula C14H23NO
Exact Mass 221.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pVG1dAQS62
Name Tapentadol
CAS Registry Number 175591-23-8
Classification Potent analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 221.177964364 u
Formula C14H23NO
InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3
InChIKey KWTWDQCKEHXFFR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 221.344 g/mol
SMILES c1(cc(ccc1)C(C(C)CN(C)C)CC)O
SPLASH splash10-0a4i-9000000000-e085dfe54264eda125dc
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.
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_1219