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N-(3-Fluorobenzyl)azepane
SpectraBase Compound ID 5eG68ZqU7Tq
InChI InChI=1S/C13H18FN/c14-13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2
InChIKey DCBGRAHEAXLERJ-UHFFFAOYSA-N
Mol Weight 207.29 g/mol
Molecular Formula C13H18FN
Exact Mass 207.142328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYKsTFrckS
Name N-(3-Fluorobenzyl)azepane
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 207.142327747 u
Formula C13H18FN
InChI InChI=1S/C13H18FN/c14-13-7-5-6-12(10-13)11-15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9,11H2
InChIKey DCBGRAHEAXLERJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 207.292 g/mol
Nominal Mass 207 u
Quality 994
Retention Index 1542
SMILES C=1(CN2CCCCCC2)C=C(C=CC1)F
SPLASH splash10-0a4i-4930000000-2e69c44a50e6472d53af
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-fluorobenzyl)azepane
Technique GC/MS
Wiley ID DD2024_013397