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Tilidine-M
SpectraBase Compound ID 2rIJefYoiVe
InChI InChI=1S/C12H12O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2
InChIKey BSSUZIOGRZJPQX-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBLxherBwc5
Name Tilidine-M (phenylcyclohexenone)
Classification Potent analgesic
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Exact Mass 172.088815005 u
Formula C12H12O
InChI InChI=1S/C12H12O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,5-7,9,11H,4,8H2
InChIKey BSSUZIOGRZJPQX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 172.227 g/mol
SMILES C1(CCC=CC1=O)c1ccccc1
SPLASH splash10-0gb9-9600000000-dad922a7b8de7a245583
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: U UHY 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_630