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1,4,7-Trihydrocyclononano[2,3-b:5,6-b:8,9-b]tri-1-allylindole

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1,4,7-Trihydrocyclononano[2,3-b:5,6-b:8,9-b]tri-1-allylindole
SpectraBase Compound ID BU2V6JhzgFy
InChI InChI=1S/C36H33N3/c1-4-19-37-31-16-10-7-13-25(31)28-23-35-30(27-15-9-12-18-33(27)38(35)20-5-2)24-36-29(22-34(28)37)26-14-8-11-17-32(26)39(36)21-6-3/h4-18H,1-3,19-24H2
InChIKey FXLUAQLHYYXAGI-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C36H33N3
Exact Mass 507.267448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2laf0QBCAAu
Name 1,4,7-Trihydrocyclononano[2,3-B:5,6-B:8,9-B]tri-1-allylindole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.267448075 u
Formula C36H33N3
InChI InChI=1S/C36H33N3/c1-4-19-37-31-16-10-7-13-25(31)28-23-35-30(27-15-9-12-18-33(27)38(35)20-5-2)24-36-29(22-34(28)37)26-14-8-11-17-32(26)39(36)21-6-3/h4-18H,1-3,19-24H2
InChIKey FXLUAQLHYYXAGI-UHFFFAOYSA-N
Molecular Weight 507.681 g/mol
SMILES C12=C(C=3C=CC=CC3N2CC=C)CC2=C(C=3C=CC=CC3N2CC=C)CC2=C(C1)C1=C(C=CC=C1)N2CC=C