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N-(3-Methylbutyl)methylone
SpectraBase Compound ID L0VB4QyDgxB
InChI InChI=1S/C16H23NO3/c1-11(2)7-8-17(4)12(3)16(18)13-5-6-14-15(9-13)20-10-19-14/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKey YXHFKJRHPQJQIO-UHFFFAOYSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkYghWSes3k
Name N-(3-Methylbutyl)methylone
Classification Cathinone analog designer drug
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-11(2)7-8-17(4)12(3)16(18)13-5-6-14-15(9-13)20-10-19-14/h5-6,9,11-12H,7-8,10H2,1-4H3
InChIKey YXHFKJRHPQJQIO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 277.364 g/mol
Nominal Mass 277 u
Quality 996
Retention Index 2019
SMILES C=1(C(C(N(CCC(C)C)C)C)=O)C=C2C(=CC1)OCO2
SPLASH splash10-00b9-9700000000-27dd1da1f7aa4c4fd5c1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methylone,N-(3-methylbutyl) 2-(3-Methylbutyl-methylamino)-1-(3,4-methylenedioxyphenyl)propan-1-one
Technique GC/MS
Wiley ID DD2024_014917