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cis-N-(2-(Bicyclo[4.1.0]heptan-7-yl)-1-(4-methoxyphenyl)ethyl)aniline
SpectraBase Compound ID 2PDYzUNl8vj
InChI InChI=1S/C22H27NO/c1-24-18-13-11-16(12-14-18)22(23-17-7-3-2-4-8-17)15-21-19-9-5-6-10-20(19)21/h2-4,7-8,11-14,19-23H,5-6,9-10,15H2,1H3/t19-,20+,21-,22?
InChIKey GTQOBBNKLACMIA-PVTQMLBVSA-N
Mol Weight 321.46 g/mol
Molecular Formula C22H27NO
Exact Mass 321.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HHxC7vuf2T
Name cis-N-(2-(Bicyclo[4.1.0]heptan-7-yl)-1-(4-methoxyphenyl)ethyl)aniline
Appearance Light-brown resin
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Exact Mass 321.209264492 u
Formula C22H27NO
InChI InChI=1S/C22H27NO/c1-24-18-13-11-16(12-14-18)22(23-17-7-3-2-4-8-17)15-21-19-9-5-6-10-20(19)21/h2-4,7-8,11-14,19-23H,5-6,9-10,15H2,1H3/t19-,20+,21-,22?
InChIKey GTQOBBNKLACMIA-PVTQMLBVSA-N
Instrument Name Thermo Scientific DFS/Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200991
Quality 107
Reported Formula C22H27NO
SMILES N(C=1C=CC=CC1)C(C[C@]1([C@@]2([C@]1(CCCC2)[H])[H])[H])C1=CC=C(C=C1)OC
SPLASH splash10-03di-6290000000-9db13ccf40a217f0f55c
Source of Spectrum K1-2022-SM29-29l (DOI: 10.1002/ejoc.202200991)
Thin-Layer Chromatography 0.27 (SiO2, PE/EtOAc/HNEt2, 100:3:2)
Wiley ID 1898959