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pce ac P577
SpectraBase Compound ID JfJ1MwNHCAd
InChI InChI=1S/C16H23NO/c1-3-17(14(2)18)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3
InChIKey YIAAQASWAHIGFA-UHFFFAOYSA-N
Mol Weight 245.37 g/mol
Molecular Formula C16H23NO
Exact Mass 245.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cS3LMrhdA
Name PCE AC
Classification Psychedelic Designer drug
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Exact Mass 245.177964364 u
Formula C16H23NO
InChI InChI=1S/C16H23NO/c1-3-17(14(2)18)16(12-8-5-9-13-16)15-10-6-4-7-11-15/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3
InChIKey YIAAQASWAHIGFA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.366 g/mol
Related CAS Registry Number(s) 2201-15-2
SMILES C1C(CCCC1)(N(C(C)=O)CC)c1ccccc1
SPLASH splash10-0a4u-5900000000-928cbc0862bef388ebee
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_3622