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2'-nor-Cultithalmine

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

2'-nor-Cultithalmine
SpectraBase Compound ID HdOrhYLsuWB
InChI InChI=1S/C36H38N2O7/c1-38-14-12-23-26-19-32(35(42-3)33(23)40)45-34-24-11-13-37-27(25(24)18-31(41-2)36(34)43-4)15-20-5-8-22(9-6-20)44-30-17-21(16-28(26)38)7-10-29(30)39/h5-10,17-19,27-28,37,39-40H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey BWJDHGFLYBRKSE-IZLXSDGUSA-N
Mol Weight 610.7 g/mol
Molecular Formula C36H38N2O7
Exact Mass 610.267902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChVaiUSs5sO
Name 2'-nor-Cultithalmine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 610.267901565 u
Formula C36H38N2O7
InChI InChI=1S/C36H38N2O7/c1-38-14-12-23-26-19-32(35(42-3)33(23)40)45-34-24-11-13-37-27(25(24)18-31(41-2)36(34)43-4)15-20-5-8-22(9-6-20)44-30-17-21(16-28(26)38)7-10-29(30)39/h5-10,17-19,27-28,37,39-40H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey BWJDHGFLYBRKSE-IZLXSDGUSA-N
Molecular Weight 610.707 g/mol
SMILES C=12OC=3C(=C(O)C4=C(C3)[C@@](N(C)CC4)(CC=3C=C(OC4=CC=C(C[C@@]5(C(=C2CCN5)C=C(C1OC)OC)[H])C=C4)C(=CC3)O)[H])OC