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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 2oe2jUM3jV2
Name Tilidine-M
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
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
Nominal Mass 172 u
Quality 797
Retention Index 1299
SMILES C1(C2=CC=CC=C2)C(C=CCC1)=O
SPLASH splash10-0uxr-7900000000-7e31ef05efbd11fadeab
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Phenylcyclohexenon 5,6-dihydro[1,1'-biphenyl]-2(1H)-one
Technique GC/MS
Wiley ID DD2024_010169