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(1R,9S)-11-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
SpectraBase Compound ID 3U48L1AUBVe
InChI InChI=1S/C24H27N3O3/c1-15-24(19-10-18(30-3)7-8-21(19)25(15)2)22(28)14-26-11-16-9-17(13-26)20-5-4-6-23(29)27(20)12-16/h4-8,10,16-17H,9,11-14H2,1-3H3
InChIKey PYLRODCXSXGOFG-UHFFFAOYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C24H27N3O3
Exact Mass 405.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GmGVzymwgq
Name (1R,9S)-11-[2-(5-Methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.205241738 u
Formula C24H27N3O3
InChI InChI=1S/C24H27N3O3/c1-15-24(19-10-18(30-3)7-8-21(19)25(15)2)22(28)14-26-11-16-9-17(13-26)20-5-4-6-23(29)27(20)12-16/h4-8,10,16-17H,9,11-14H2,1-3H3
InChIKey PYLRODCXSXGOFG-UHFFFAOYSA-N
Molecular Weight 405.498 g/mol
SMILES C1(=C(N(C)C2=C1C=C(C=C2)OC)C)C(CN1CC2C3=CC=CC(N3CC(C1)C2)=O)=O