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cis-N-(2-(Bicyclo[4.1.0]heptan-7-yl)-1-phenylethyl)-4-methoxyaniline
SpectraBase Compound ID HfqT63tkQEY
InChI InChI=1S/C22H27NO/c1-24-18-13-11-17(12-14-18)23-22(16-7-3-2-4-8-16)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 NGBKXJKTKSHNEL-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 BHl4U8usQi9
Name cis-N-(2-(Bicyclo[4.1.0]heptan-7-yl)-1-phenylethyl)-4-methoxyaniline
Appearance Brown oil
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Exact Mass 321.209264492 u
Formula C22H27NO
InChI InChI=1S/C22H27NO/c1-24-18-13-11-17(12-14-18)23-22(16-7-3-2-4-8-16)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 NGBKXJKTKSHNEL-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)OC)C(C[C@]1([C@@]2([C@]1(CCCC2)[H])[H])[H])C1=CC=CC=C1
SPLASH splash10-03di-5090000000-bbf2959a650827d834d8
Source of Spectrum K1-2022-SM25-25l (DOI: 10.1002/ejoc.202200991)
Thin-Layer Chromatography 0.27 (SiO2, PE/EtOAc/HNEt2, 100:3:2)
Wiley ID 1898956