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(+)-O-cinnamoyl-N-butylephedrine

View entire compound with spectra: 1 MS (GC)

(+)-O-cinnamoyl-N-butylephedrine
SpectraBase Compound ID 4DHk6JQSNPQ
InChI InChI=1S/C23H29NO2/c1-4-5-18-24(3)19(2)23(21-14-10-7-11-15-21)26-22(25)17-16-20-12-8-6-9-13-20/h6-17,19,23H,4-5,18H2,1-3H3/b17-16+/t19-,23-/m0/s1
InChIKey KDFYECIULMZVSE-DUJJYPJESA-N
Mol Weight 351.49 g/mol
Molecular Formula C23H29NO2
Exact Mass 351.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CvAMAKfnk1
Name (+)-O-cinnamoyl-N-butylephedrine
Alternate Name(s) 2-[butyl(methyl)amino]-1-phenylpropyl (2E)-3-phenyl-2-propenoate (E)-3-phenyl-2-propenoic acid [(1R,2S)-2-[butyl(methyl)amino]-1-phenylpropyl] ester [(1R,2S)-2-[butyl(methyl)amino]-1-phenylpropyl] (E)-3-phenylprop-2-enoate [(1R,2S)-2-[butyl(methyl)amino]-1-phenyl-propyl] (E)-3-phenylprop-2-enoate
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Formula C23H29NO2
InChI InChI=1S/C23H29NO2/c1-4-5-18-24(3)19(2)23(21-14-10-7-11-15-21)26-22(25)17-16-20-12-8-6-9-13-20/h6-17,19,23H,4-5,18H2,1-3H3/b17-16+/t19-,23-/m0/s1
InChIKey KDFYECIULMZVSE-DUJJYPJESA-N
Molecular Weight 351.490 g/mol
SMILES [C@]([C@@](N(CCCC)C)(C)[H])(OC(\C=C\c1ccccc1)=O)(c1ccccc1)[H]
SPLASH splash10-03di-0900000000-8889b6bf1287e20e3abc
Source of Spectrum KC-0-1967-7
Wiley ID 784145