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N-(3-(Trifluoromethyl)benzyl)azepane
SpectraBase Compound ID 2u4agVaG5GD
InChI InChI=1S/C14H18F3N/c15-14(16,17)13-7-5-6-12(10-13)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2
InChIKey KUUGMXCJRRKTQC-UHFFFAOYSA-N
Mol Weight 257.3 g/mol
Molecular Formula C14H18F3N
Exact Mass 257.139134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYNv4srCBCy
Name N-(3-(Trifluoromethyl)benzyl)azepane
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 257.139134073 u
Formula C14H18F3N
InChI InChI=1S/C14H18F3N/c15-14(16,17)13-7-5-6-12(10-13)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2
InChIKey KUUGMXCJRRKTQC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 257.300 g/mol
Nominal Mass 257 u
Quality 995
Retention Index 1522
SMILES C(C1=CC(=CC=C1)CN1CCCCCC1)(F)(F)F
SPLASH splash10-0a4i-3590000000-adca102acb0da01174cd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-(trifluoromethyl)benzyl)azepane
Technique GC/MS
Wiley ID DD2024_013561