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BMDB AC
SpectraBase Compound ID 9q6DMWQbiOZ
InChI InChI=1S/C20H21NO4/c1-3-17(21(14(2)22)12-15-7-5-4-6-8-15)20(23)16-9-10-18-19(11-16)25-13-24-18/h4-11,17H,3,12-13H2,1-2H3
InChIKey AOBRVHXQISNVND-UHFFFAOYSA-N
Mol Weight 339.39 g/mol
Molecular Formula C20H21NO4
Exact Mass 339.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JJwtBzXCNM
Name BMDB AC
Classification Cathinone analog designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 339.147058156 u
Formula C20H21NO4
InChI InChI=1S/C20H21NO4/c1-3-17(21(14(2)22)12-15-7-5-4-6-8-15)20(23)16-9-10-18-19(11-16)25-13-24-18/h4-11,17H,3,12-13H2,1-2H3
InChIKey AOBRVHXQISNVND-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 339.391 g/mol
Nominal Mass 339 u
Quality 994
Retention Index 2624
SMILES C(N(CC1=CC=CC=C1)C(=O)C)(C(C=1C=C2C(=CC1)OCO2)=O)CC
SPLASH splash10-0007-3900000000-88f21f914c67fbb34a2b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-Benzylnorbutylone AC N-(1-(1,3-benzodioxol-5-yl)-1-oxobutan-2-yl)-N-benzylacetamide
Technique GC/MS
Wiley ID DD2024_016332