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MDAI N,N-bis(3-trifluoromethylbenzyl)
SpectraBase Compound ID HfrLGx8FXBV
InChI InChI=1S/C26H21F6NO2/c27-25(28,29)20-5-1-3-16(7-20)13-33(14-17-4-2-6-21(8-17)26(30,31)32)22-9-18-11-23-24(35-15-34-23)12-19(18)10-22/h1-8,11-12,22H,9-10,13-15H2
InChIKey IGYGTPPOENIGRM-UHFFFAOYSA-N
Mol Weight 493.45 g/mol
Molecular Formula C26H21F6NO2
Exact Mass 493.147648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2p6uD22glhA
Name MDAI N,N-bis(3-trifluoromethylbenzyl)
Classification Aminoindane designer drug
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 493.147647896 u
Formula C26H21F6NO2
InChI InChI=1S/C26H21F6NO2/c27-25(28,29)20-5-1-3-16(7-20)13-33(14-17-4-2-6-21(8-17)26(30,31)32)22-9-18-11-23-24(35-15-34-23)12-19(18)10-22/h1-8,11-12,22H,9-10,13-15H2
InChIKey IGYGTPPOENIGRM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 493.449 g/mol
Nominal Mass 493 u
Quality 995
Retention Index 2824
SMILES C=12C(CC(N(CC=3C=C(C(F)(F)F)C=CC3)CC=3C=C(C(F)(F)F)C=CC3)C2)=CC2=C(C1)OCO2
SPLASH splash10-06r6-2912200000-cf85aba55334c61a4aec
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-trifluoromethylbenzyl)-6,7-dihydro-2H,5H-indeno[5,6-d][1,3]dioxol-6-amine
Technique GC/MS
Wiley ID DD2024_022066