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Norcymserine, N'-[2-phenethyl]-

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Norcymserine, N'-[2-phenethyl]-
SpectraBase Compound ID 8rcEwhvUwGt
InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)
InChIKey WKDFOVDLOVYRAJ-UHFFFAOYSA-N
Mol Weight 469.6 g/mol
Molecular Formula C30H35N3O2
Exact Mass 469.272927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfXBFRSNqso
Name Norcymserine, N'-[2-phenethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 469.272927377 u
Formula C30H35N3O2
InChI InChI=1S/C30H35N3O2/c1-21(2)23-10-12-24(13-11-23)31-29(34)35-25-14-15-27-26(20-25)30(3)17-19-33(28(30)32(27)4)18-16-22-8-6-5-7-9-22/h5-15,20-21,28H,16-19H2,1-4H3,(H,31,34)
InChIKey WKDFOVDLOVYRAJ-UHFFFAOYSA-N
Molecular Weight 469.629 g/mol
SMILES C1=C(C=CC2=C1C1(CCN(C1N2C)CCC1=CC=CC=C1)C)OC(=O)NC1=CC=C(C(C)C)C=C1