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3-Bromo-N-(2-cyclohexylidene-1-phenylpropyl)aniline
SpectraBase Compound ID AlyJykksRYa
InChI InChI=1S/C21H24BrN/c1-16(17-9-4-2-5-10-17)21(18-11-6-3-7-12-18)23-20-14-8-13-19(22)15-20/h3,6-8,11-15,21,23H,2,4-5,9-10H2,1H3
InChIKey NJYQQLOJZLDFDW-UHFFFAOYSA-N
Mol Weight 370.33 g/mol
Molecular Formula C21H24BrN
Exact Mass 369.109213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GhN9QZApwx
Name 3-Bromo-N-(2-cyclohexylidene-1-phenylpropyl)aniline
Appearance Off-white crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.109212777 u
Formula C21H24BrN
InChI InChI=1S/C21H24BrN/c1-16(17-9-4-2-5-10-17)21(18-11-6-3-7-12-18)23-20-14-8-13-19(22)15-20/h3,6-8,11-15,21,23H,2,4-5,9-10H2,1H3
InChIKey NJYQQLOJZLDFDW-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS/Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200991
Molecular Weight 370.334 g/mol
Quality 154
Reported Formula C21H24NBr
SMILES N(C=1C=CC=C(C1)Br)C(C(=C1CCCCC1)C)C1=CC=CC=C1
SPLASH splash10-000x-6900000000-3040de888d1cc9398bad
Source of Spectrum K1-2022-SM9-6b (DOI: 10.1002/ejoc.202200991)
Thin-Layer Chromatography 0.38 (SiO2, PE/EtOAc/HNEt2, 100:5:1)
Wiley ID 1898966