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Xanthine, 1,3-dipropyl-8-[2-(3-nitrophenyl)ethenyl]-

View entire compound with spectra: 1 NMR

Xanthine, 1,3-dipropyl-8-[2-(3-nitrophenyl)ethenyl]-
SpectraBase Compound ID E5m1S67VALb
InChI InChI=1S/C19H21N5O4/c1-3-10-22-17-16(18(25)23(11-4-2)19(22)26)20-15(21-17)9-8-13-6-5-7-14(12-13)24(27)28/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)/b9-8+
InChIKey OQURVXLRSYSXCY-CMDGGOBGSA-N
Mol Weight 383.41 g/mol
Molecular Formula C19H21N5O4
Exact Mass 383.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BB8gsDIQ1Z4
Name Xanthine, 1,3-dipropyl-8-[2-(3-nitrophenyl)ethenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.159354172 u
Formula C19H21N5O4
InChI InChI=1S/C19H21N5O4/c1-3-10-22-17-16(18(25)23(11-4-2)19(22)26)20-15(21-17)9-8-13-6-5-7-14(12-13)24(27)28/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)/b9-8+
InChIKey OQURVXLRSYSXCY-CMDGGOBGSA-N
Molecular Weight 383.408 g/mol
SMILES C1(N(C(C2=C(N1CCC)N=C(N2)\C=C\C1=CC(=CC=C1)N(=O)=O)=O)CCC)=O