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acetamide, N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-b]quinazolin-7-yl)oxy]-
SpectraBase Compound ID HK8TCq6gnWD
InChI InChI=1S/C23H21FN4O3/c24-15-3-5-19-17(10-15)14(12-26-19)7-8-25-22(29)13-31-16-4-6-20-18(11-16)23(30)28-9-1-2-21(28)27-20/h3-6,10-12,26H,1-2,7-9,13H2,(H,25,29)
InChIKey CBCWXSBVLKZSGP-UHFFFAOYSA-N
Mol Weight 420.44 g/mol
Molecular Formula C23H21FN4O3
Exact Mass 420.159769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dVOdk95T5i
Name Acetamide, N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[(1,2,3,9-tetrahydro-9-oxopyrrolo[2,1-B]quinazolin-7-yl)oxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.159768712 u
Formula C23H21FN4O3
InChI InChI=1S/C23H21FN4O3/c24-15-3-5-19-17(10-15)14(12-26-19)7-8-25-22(29)13-31-16-4-6-20-18(11-16)23(30)28-9-1-2-21(28)27-20/h3-6,10-12,26H,1-2,7-9,13H2,(H,25,29)
InChIKey CBCWXSBVLKZSGP-UHFFFAOYSA-N
Molecular Weight 420.444 g/mol
SMILES N(C(COC=1C=C2C(N3C(=NC2=CC1)CCC3)=O)=O)CCC1=CNC2=C1C=C(C=C2)F