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2-(2,3-Methylenedioxyphenyl)butan-1-amine-A (CH2O,-H2O)
SpectraBase Compound ID 735o1WrgJ4z
InChI InChI=1S/C12H15NO2/c1-3-9(7-13-2)10-5-4-6-11-12(10)15-8-14-11/h4-6,9H,2-3,7-8H2,1H3
InChIKey JHSDSMCVQAQNGH-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 5ZhKV8OU6N6
Name 2-(2,3-Methylenedioxyphenyl)butan-1-amine-A (CH2O,-H2O)
Classification beta-isomeric 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/c1-3-9(7-13-2)10-5-4-6-11-12(10)15-8-14-11/h4-6,9H,2-3,7-8H2,1H3
InChIKey JHSDSMCVQAQNGH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 205.257 g/mol
Nominal Mass 205 u
Quality 994
Retention Index 1592
SMILES C1=2C(C(CN=C)CC)=CC=CC2OCO1
SPLASH splash10-000f-9700000000-3c616c6c3f702b2ceb8c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(1,3-benzodioxol-4-yl)butyl)methanimine
Technique GC/MS
Wiley ID DD2024_002190