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2-(3,4-Methylenedioxyphenyl)butan-1-amine AC
SpectraBase Compound ID K3WH3UakxEv
InChI InChI=1S/C13H17NO3/c1-3-10(7-14-9(2)15)11-4-5-12-13(6-11)17-8-16-12/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)
InChIKey HNNWAOGGXRSSCD-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 DmTUhrOwkMa
Name 2-(3,4-Methylenedioxyphenyl)butan-1-amine AC
Classification beta-isomeric 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/c1-3-10(7-14-9(2)15)11-4-5-12-13(6-11)17-8-16-12/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)
InChIKey HNNWAOGGXRSSCD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 235.283 g/mol
Nominal Mass 235 u
Quality 933
Retention Index 1839
SMILES C=1(C(CNC(=O)C)CC)C=C2C(=CC1)OCO2
SPLASH splash10-004i-0900000000-93cdeec352386cf6e67f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(1,3-benzodioxol-5-yl)butyl)acetamide
Technique GC/MS
Wiley ID DD2024_002186