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Methyl 4-(trans-4-(benzylmethylamino)cyclohexyl)benzoate
SpectraBase Compound ID 6ttDyCs4UDu
InChI InChI=1S/C22H27NO2/c1-23(16-17-6-4-3-5-7-17)21-14-12-19(13-15-21)18-8-10-20(11-9-18)22(24)25-2/h3-11,19,21H,12-16H2,1-2H3/t19-,21-
InChIKey PCYHJPBVOMPMMS-XUTJKUGGSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HZdSrYIDZW
Name Methyl 4-(trans-4-(benzylmethylamino)cyclohexyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-23(16-17-6-4-3-5-7-17)21-14-12-19(13-15-21)18-8-10-20(11-9-18)22(24)25-2/h3-11,19,21H,12-16H2,1-2H3/t19-,21-
InChIKey PCYHJPBVOMPMMS-XUTJKUGGSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 337.463 g/mol
SMILES CN([C@]1(CC[C@@](CC1)(c1ccc(cc1)C(OC)=O)[H])[H])Cc1ccccc1
SPLASH splash10-03di-2901000000-a3c830ba606198c0b44c
Source of Spectrum A1-16-924/SM47-3fa
Synonyms Methyl 4-((1r,4r)-4-(benzyl(methyl)amino)cyclohexyl)benzoate
Wiley ID 1747727