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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(1H-indol-3-ylmethylene)-1-(phenylmethyl)-, (5Z)-
SpectraBase Compound ID L3iBCEgaFuj
InChI InChI=1S/C20H15N3O3/c24-18-16(10-14-11-21-17-9-5-4-8-15(14)17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-11,21H,12H2,(H,22,24,26)/b16-10-
InChIKey GKJXQRXAJNPUKI-YBEGLDIGSA-N
Mol Weight 345.36 g/mol
Molecular Formula C20H15N3O3
Exact Mass 345.111341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELWVe41Dd1c
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1H-indol-3-ylmethylene)-1-(phenylmethyl)-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.111341352 u
Formula C20H15N3O3
InChI InChI=1S/C20H15N3O3/c24-18-16(10-14-11-21-17-9-5-4-8-15(14)17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-11,21H,12H2,(H,22,24,26)/b16-10-
InChIKey GKJXQRXAJNPUKI-YBEGLDIGSA-N
SMILES N1C2=C(C(\C=C/3C(N(C(NC3=O)=O)CC3=CC=CC=C3)=O)=C1)C=CC=C2