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(2'-phenylethenyl) 2-[(dimethylamino)methyl]-1-n-propylcyclohexane-1-carboxylate
SpectraBase Compound ID 2twQNHePX3a
InChI InChI=1S/C21H31NO2/c1-4-14-21(15-9-8-12-19(21)17-22(2)3)20(23)24-16-13-18-10-6-5-7-11-18/h5-7,10-11,13,16,19H,4,8-9,12,14-15,17H2,1-3H3/b16-13+
InChIKey CBFSTVIYXOIZIA-DTQAZKPQSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Au5UvCl78uu
Name (2'-phenylethenyl) 2-[(dimethylamino)methyl]-1-n-propylcyclohexane-1-carboxylate
Alternate Name(s) (E)-2-phenylethenyl 2-[(dimethylamino)methyl]-1-propylcyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-4-14-21(15-9-8-12-19(21)17-22(2)3)20(23)24-16-13-18-10-6-5-7-11-18/h5-7,10-11,13,16,19H,4,8-9,12,14-15,17H2,1-3H3/b16-13+
InChIKey CBFSTVIYXOIZIA-DTQAZKPQSA-N
Molecular Weight 329.484 g/mol
SMILES C1(C(=O)O\C=C\c2ccccc2)(C(CN(C)C)CCCC1)CCC
SPLASH splash10-0a4i-9200000000-22e02adb4dc3da9e1692
Source of Spectrum M-34-304-0
Wiley ID 1327280