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3-Methyl-1-phenyl-2-(pyrrolidin-1-yl)butan-1-one
SpectraBase Compound ID 3rzZC2yY9LU
InChI InChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKey SLPVYNPNJIYANF-UHFFFAOYSA-N
Mol Weight 231.34 g/mol
Molecular Formula C15H21NO
Exact Mass 231.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 567Osh1HaKz
Name iso-alpha-pyrrovalerone
Alternate Name(s) iso-Flakka 3-Methyl-1-phenyl-2-(pyrrolidin-1-yl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO
InChI InChI=1S/C15H21NO/c1-12(2)14(16-10-6-7-11-16)15(17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKey SLPVYNPNJIYANF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.7603
Molecular Weight 231.339 g/mol
SMILES c1cc(ccc1)C(=O)C(C(C)C)N1CCCC1
SPLASH splash10-004i-5900000000-1ef6e91d83271b430a03
Source of Spectrum RCM-30-1714-2,iso_alpha_PVP
Wiley ID 1813801