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META-CYCLOHEXYLTOLUENE
SpectraBase Compound ID 7C1txP2WaOz
InChI InChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey ULBWADKCMNAMFJ-UHFFFAOYSA-N
Mol Weight 174.29 g/mol
Molecular Formula C13H18
Exact Mass 174.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIS5ZtHleXS
Name 3-Me-PCMo artifact
Classification Designer drug
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Exact Mass 174.140850580 u
Formula C13H16
InChI InChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey ULBWADKCMNAMFJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 174.287 g/mol
SMILES C1CCCCC1c1cc(ccc1)C
SPLASH splash10-00bc-2900000000-1ead04c4a21fdeab140d
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_10536