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1-(3,4-Methylenedioxyphenyl)butan-2-amine AC
SpectraBase Compound ID FkoiZr5a4Yh
InChI InChI=1S/C13H17NO3/c1-3-11(14-9(2)15)6-10-4-5-12-13(7-10)17-8-16-12/h4-5,7,11H,3,6,8H2,1-2H3,(H,14,15)
InChIKey OOQDIGFXVGLXMC-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HmdNpaX0OO
Name 1-(3,4-Methylenedioxyphenyl)butan-2-amine AC
Classification Phenylbutanamine designer drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-11(14-9(2)15)6-10-4-5-12-13(7-10)17-8-16-12/h4-5,7,11H,3,6,8H2,1-2H3,(H,14,15)
InChIKey OOQDIGFXVGLXMC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 235.283 g/mol
Nominal Mass 235 u
Quality 981
Retention Index 1911
SMILES C1=2C(=CC=C(C2)CC(NC(=O)C)CC)OCO1
SPLASH splash10-0a4i-9400000000-8db6dfe609e0a562e414
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-(1,3-benzodioxol-5-yl)butan-2-yl)acetamide
Technique GC/MS
Wiley ID DD2024_002746