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1-(3,4-Methylenedioxyphenyl)butan-2-amine-A (CH2O,-H2O)
SpectraBase Compound ID CywlHp5bGaL
InChI InChI=1S/C12H15NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKey DZTQFEPGFMPNKW-UHFFFAOYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wBrKwaviXI
Name 1-(3,4-Methylenedioxyphenyl)butan-2-amine-A (CH2O,-H2O)
Classification Phenylbutanamine designer drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 205.110278725 u
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10H,2-3,6,8H2,1H3
InChIKey DZTQFEPGFMPNKW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 205.257 g/mol
Nominal Mass 205 u
Quality 932
Retention Index 1592
SMILES C1=2C(=CC(=CC2)CC(N=C)CC)OCO1
SPLASH splash10-00di-9200000000-1df0a9bebecc94609e54
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms BDB-A (CH2O) N-(1-(1,3-benzodioxol-5-yl)butan-2-yl)methanimine
Technique GC/MS
Wiley ID DD2024_018327