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(+)-o-cinnamoyl-N-butylephedrine

View entire compound with spectra: 1 NMR, and 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7AbUxTI96iC
Name (+)-o-cinnamoyl-N-butylephedrine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.219829176 u
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\C1=CC=CC=C1)=O)(C=1C=CC=CC1)[H]