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2-(3,4-Methylenedioxyphenyl)propan-1-amine AC
SpectraBase Compound ID EHqIZ99CEV9
InChI InChI=1S/C12H15NO3/c1-8(6-13-9(2)14)10-3-4-11-12(5-10)16-7-15-11/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKey PHRYAXCQHVKNMS-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLBXjqIAwqR
Name 2-(3,4-Methylenedioxyphenyl)propan-1-amine AC
Classification beta-isomeric amphetamine derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 221.105193344 u
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-8(6-13-9(2)14)10-3-4-11-12(5-10)16-7-15-11/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKey PHRYAXCQHVKNMS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 221.256 g/mol
Nominal Mass 221 u
Quality 913
Retention Index 1859
SMILES C1=2C(=CC=C(C(CNC(=O)C)C)C2)OCO1
SPLASH splash10-03di-2900000000-bc9d760b4cbdbdb9f8f5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(1,3-benzodioxol-5-yl)propyl)acetamide
Technique GC/MS
Wiley ID DD2024_002256