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1-(2-Methoxy-4,5-methylenedioxyphenyl)butan-2-amine TFA
SpectraBase Compound ID L6WC7HYytH0
InChI InChI=1S/C14H16F3NO4/c1-3-9(18-13(19)14(15,16)17)4-8-5-11-12(22-7-21-11)6-10(8)20-2/h5-6,9H,3-4,7H2,1-2H3,(H,18,19)
InChIKey HPJVUFNJURGDEW-UHFFFAOYSA-N
Mol Weight 319.28 g/mol
Molecular Formula C14H16F3NO4
Exact Mass 319.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dn0Bcs95ztI
Name 1-(2-Methoxy-4,5-methylenedioxyphenyl)butan-2-amine TFA
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 319.103142484 u
Formula C14H16F3NO4
InChI InChI=1S/C14H16F3NO4/c1-3-9(18-13(19)14(15,16)17)4-8-5-11-12(22-7-21-11)6-10(8)20-2/h5-6,9H,3-4,7H2,1-2H3,(H,18,19)
InChIKey HPJVUFNJURGDEW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.280 g/mol
Nominal Mass 319 u
Quality 957
Retention Index 2400
SMILES C=1(C(=CC2=C(C1)OCO2)OC)CC(NC(C(F)(F)F)=O)CC
SPLASH splash10-014i-1921000000-6b3a95df8ba756fb071f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trifluoro-N-(1-(6-methoxy-1,3-benzodioxol-5-yl)butan-2-yl)acetamide
Technique GC/MS
Wiley ID DD2024_002021