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cis-N-(2-(Bicyclo[4.1.0]heptan-7-yl)-1-(3-bromophenyl)ethyl)aniline
SpectraBase Compound ID JR7EKx6p8ch
InChI InChI=1S/C21H24BrN/c22-16-8-6-7-15(13-16)21(23-17-9-2-1-3-10-17)14-20-18-11-4-5-12-19(18)20/h1-3,6-10,13,18-21,23H,4-5,11-12,14H2/t18-,19+,20-,21?
InChIKey HMRMUCLLPWVIKJ-CWNQJQRUSA-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 9l1Afcen7FH
Name cis-N-(2-(Bicyclo[4.1.0]heptan-7-yl)-1-(3-bromophenyl)ethyl)aniline
Appearance Colorless resin
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Exact Mass 369.109212777 u
Formula C21H24BrN
InChI InChI=1S/C21H24BrN/c22-16-8-6-7-15(13-16)21(23-17-9-2-1-3-10-17)14-20-18-11-4-5-12-19(18)20/h1-3,6-10,13,18-21,23H,4-5,11-12,14H2/t18-,19+,20-,21?
InChIKey HMRMUCLLPWVIKJ-CWNQJQRUSA-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 157
Reported Formula C21H24NBr
SMILES N(C=1C=CC=CC1)C(C[C@]1([C@@]2([C@]1(CCCC2)[H])[H])[H])C1=CC=CC(=C1)Br
SPLASH splash10-0400-9350000000-5541aab253b710600f9e
Source of Spectrum K1-2022-SM27-27l (DOI: 10.1002/ejoc.202200991)
Thin-Layer Chromatography 0.38 (SiO2, PE/EtOAc/HNEt2, 100:5:1)
Wiley ID 1898958