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O-Cinnamoyl-N-propionylephedrine cyclic hydrodimer
SpectraBase Compound ID LvdNu2BpIDt
InChI InChI=1S/C31H33NO4/c1-4-27(34)32(3)21(2)30(24-18-12-7-13-19-24)36-31(35)29-26(33)20-25(22-14-8-5-9-15-22)28(29)23-16-10-6-11-17-23/h5-19,21,25,28-30H,4,20H2,1-3H3/t21?,25-,28-,29-,30?/m1/s1
InChIKey COIHAYINBKURSH-NFYCTFLXSA-N
Mol Weight 483.6 g/mol
Molecular Formula C31H33NO4
Exact Mass 483.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxxbD980ENa
Name O-Cinnamoyl-N-propionylephedrine cyclic hydrodimer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33NO4
InChI InChI=1S/C31H33NO4/c1-4-27(34)32(3)21(2)30(24-18-12-7-13-19-24)36-31(35)29-26(33)20-25(22-14-8-5-9-15-22)28(29)23-16-10-6-11-17-23/h5-19,21,25,28-30H,4,20H2,1-3H3/t21?,25-,28-,29-,30?/m1/s1
InChIKey COIHAYINBKURSH-NFYCTFLXSA-N
Molecular Weight 483.608 g/mol
SMILES [C@@]1(C(OC(C(N(C(=O)CC)C)C)c2ccccc2)=O)([C@@]([C@@](c2ccccc2)(CC1=O)[H])(c1ccccc1)[H])[H]
SPLASH splash10-0ufr-9730000000-dc4d320407d9fe89c26f
Source of Spectrum KC-0-1969-8
Synonyms 2-[methyl(propionyl)amino]-1-phenylpropyl (1S,2R,3S)-5-oxo-2,3-diphenylcyclopentanecarboxylate
Wiley ID 784134