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MBDB
SpectraBase Compound ID DWysaBDalo7
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3
InChIKey USWVWJSAJAEEHQ-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFepCh1q0Ui
Name MBDB
CAS Registry Number 103818-46-8
Classification Methylenedioxyphenylbutanamine designer drug, stimulant, entactogenic
Comments Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3
InChIKey USWVWJSAJAEEHQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 207.273 g/mol
Nominal Mass 207 u
Quality 927
Retention Index 1642
SMILES C1=2C(=CC=C(C2)CC(NC)CC)OCO1
SPLASH splash10-00di-9100000000-bb58aa08c18a6fb7f303
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,4-MBDB N-Methyl-1-(1,3-benzodioxol-5-yl)butan-2-amine [1-(1,3-Benzodioxol-5-yl)butan-2-yl](methyl)azan
Technique GC/MS
Wiley ID DD2024_002830