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N-Isobutyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
SpectraBase Compound ID IuzRuv3akCw
InChI InChI=1S/C14H21NO2/c1-10(2)7-15-8-11(3)12-4-5-13-14(6-12)17-9-16-13/h4-6,10-11,15H,7-9H2,1-3H3
InChIKey IJHPDUJRPZNDTQ-UHFFFAOYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFMnEG25WEa
Name N-Isobutyl-2-(3,4-methylenedioxyphenyl)propan-1-amine
Classification beta-isomeric amphetamine
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 235.157228918 u
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-10(2)7-15-8-11(3)12-4-5-13-14(6-12)17-9-16-13/h4-6,10-11,15H,7-9H2,1-3H3
InChIKey IJHPDUJRPZNDTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 235.327 g/mol
Nominal Mass 235 u
Quality 873
Retention Index 1731
SMILES C1=2C(=CC=C(C(CNCC(C)C)C)C2)OCO1
SPLASH splash10-000i-9200000000-6fe907e9335b2d64a641
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-Methylpropyl)-2-(3,4-methylenedioxyphenyl)propan-1-amine
Technique GC/MS
Wiley ID DD2024_014719