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Nor-thalictine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Nor-thalictine
SpectraBase Compound ID BDx9n2mlVBm
InChI InChI=1S/C36H38N2O6/c1-38-14-12-23-18-32(40-2)33-19-26(23)29(38)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-28-27-20-34(41-3)36(42-4)35(44-33)25(27)11-13-37-28/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29-/m0/s1
InChIKey JFENRTRMZSVTMN-VMPREFPWSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zEXk4RICBv
Name nor-Thalictine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.272986946 u
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-38-14-12-23-18-32(40-2)33-19-26(23)29(38)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-28-27-20-34(41-3)36(42-4)35(44-33)25(27)11-13-37-28/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29-/m0/s1
InChIKey JFENRTRMZSVTMN-VMPREFPWSA-N
Molecular Weight 594.708 g/mol
SMILES C1=2OC3=CC=4[C@@](N(C)CCC4C=C3OC)(CC=3C=C(OC4=CC=C(C[C@]5(C(C2CCN5)=CC(=C1OC)OC)[H])C=C4)C(=CC3)O)[H]