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N-(3-Trifluoromethylbenzyl)-1-(3,4-difluoromethylenedioxyphenyl)butan-2-amine
SpectraBase Compound ID 75DZ4TCVBOC
InChI InChI=1S/C19H18F5NO2/c1-2-15(25-11-13-4-3-5-14(8-13)18(20,21)22)9-12-6-7-16-17(10-12)27-19(23,24)26-16/h3-8,10,15,25H,2,9,11H2,1H3
InChIKey IYJDRUVUNBBMFB-UHFFFAOYSA-N
Mol Weight 387.35 g/mol
Molecular Formula C19H18F5NO2
Exact Mass 387.12577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JG2kJkM3h8S
Name N-(3-Trifluoromethylbenzyl)-1-(3,4-difluoromethylenedioxyphenyl)butan-2-amine
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 387.125769637 u
Formula C19H18F5NO2
InChI InChI=1S/C19H18F5NO2/c1-2-15(25-11-13-4-3-5-14(8-13)18(20,21)22)9-12-6-7-16-17(10-12)27-19(23,24)26-16/h3-8,10,15,25H,2,9,11H2,1H3
InChIKey IYJDRUVUNBBMFB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 387.350 g/mol
Nominal Mass 387 u
Quality 615
Retention Index 2893
SMILES C1(OC=2C(O1)=CC=C(C2)CC(NCC=1C=C(C(F)(F)F)C=CC1)CC)(F)F
SPLASH splash10-00di-1901000000-a48e5568c25b52f299fa
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(3-(trifluoromethyl)benzyl)butan-2-amine
Technique GC/MS
Wiley ID DD2024_019668