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2-methyl AP-237
SpectraBase Compound ID JiPJ1osNfd7
InChI InChI=1S/C18H26N2O/c1-3-8-18(21)20-14-13-19(15-16(20)2)12-7-11-17-9-5-4-6-10-17/h4-7,9-11,16H,3,8,12-15H2,1-2H3/b11-7+
InChIKey CRSFXYZFNAFVFC-YRNVUSSQSA-N
Mol Weight 286.42 g/mol
Molecular Formula C18H26N2O
Exact Mass 286.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lXepbX9P2u
Name 2-Methyl-AP-237
Classification Acyl piperazine opioid
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 286.204513464 u
Formula C18H26N2O
InChI InChI=1S/C18H26N2O/c1-3-8-18(21)20-14-13-19(15-16(20)2)12-7-11-17-9-5-4-6-10-17/h4-7,9-11,16H,3,8,12-15H2,1-2H3/b11-7+
InChIKey CRSFXYZFNAFVFC-YRNVUSSQSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 286.419 g/mol
Nominal Mass 286 u
Quality 995
Retention Index 2243
SMILES C1(N(C(CCC)=O)CCN(C1)C\C=C\C=1C=CC=CC1)C
SPLASH splash10-014i-2920000000-af0682961ea653a3ad79
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-[2-Methyl-4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]butan-1-one
Technique GC/MS
Wiley ID DD2024_030980