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imidazo[1,5-b]isoquinoline-2-propanamide, N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,2,3,5,10,10a-hexahydro-7,8-dimethoxy-1,3-dioxo-, (10aS)-

View entire compound with spectra: 2 NMR

imidazo[1,5-b]isoquinoline-2-propanamide, N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,2,3,5,10,10a-hexahydro-7,8-dimethoxy-1,3-dioxo-, (10aS)-
SpectraBase Compound ID DvGsgMFioVt
InChI InChI=1S/C26H27FN4O5/c1-35-22-10-16-9-21-25(33)30(26(34)31(21)14-17(16)11-23(22)36-2)8-6-24(32)28-7-5-15-13-29-20-4-3-18(27)12-19(15)20/h3-4,10-13,21,29H,5-9,14H2,1-2H3,(H,28,32)
InChIKey OEJCOTJWZKPJMT-UHFFFAOYSA-N
Mol Weight 494.52 g/mol
Molecular Formula C26H27FN4O5
Exact Mass 494.196548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BejaW9PDXTY
Name Imidazo[1,5-B]isoquinoline-2-propanamide, N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,2,3,5,10,10A-hexahydro-7,8-dimethoxy-1,3-dioxo-, (10AS)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.196548143 u
Formula C26H27FN4O5
InChI InChI=1S/C26H27FN4O5/c1-35-22-10-16-9-21-25(33)30(26(34)31(21)14-17(16)11-23(22)36-2)8-6-24(32)28-7-5-15-13-29-20-4-3-18(27)12-19(15)20/h3-4,10-13,21,29H,5-9,14H2,1-2H3,(H,28,32)
InChIKey OEJCOTJWZKPJMT-UHFFFAOYSA-N
Molecular Weight 494.523 g/mol
SMILES N(C(CCN1C(N2CC=3C=C(OC)C(=CC3CC2C1=O)OC)=O)=O)CCC1=CNC2=C1C=C(C=C2)F