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N-(2-Methyl-4-phenylbutyl)azepane
SpectraBase Compound ID Eq3GUfmCpYM
InChI InChI=1S/C17H27N/c1-16(11-12-17-9-5-4-6-10-17)15-18-13-7-2-3-8-14-18/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3
InChIKey JTVZBQRQNBASMT-UHFFFAOYSA-N
Mol Weight 245.41 g/mol
Molecular Formula C17H27N
Exact Mass 245.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42HKd8Fs0G
Name N-(2-Methyl-4-phenylbutyl)azepane
Appearance Colorless resin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27N
InChI InChI=1S/C17H27N/c1-16(11-12-17-9-5-4-6-10-17)15-18-13-7-2-3-8-14-18/h4-6,9-10,16H,2-3,7-8,11-15H2,1H3
InChIKey JTVZBQRQNBASMT-UHFFFAOYSA-N
Instrument Name Waters Q-TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.202100431
Molecular Weight 245.410 g/mol
Reported Formula C17H27N
SMILES CC(CN1CCCCCC1)CCc1ccccc1
SPLASH splash10-03dl-9720000000-97882e4ae24213c04c62
Source of Spectrum ACI-60-SM9-4a
Thin-Layer Chromatography Rf = 0.44 (SiO2, PE/Et2O/HNEt2, 150:50:1)
Wiley ID 1882439