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Xanthine, 1,3-dipropyl-8-[(4-carboxymethoxy)phenyl]-

View entire compound with spectra: 1 NMR

Xanthine, 1,3-dipropyl-8-[(4-carboxymethoxy)phenyl]-
SpectraBase Compound ID 54mnV7XwTUH
InChI InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
InChIKey QTMMGCYGCFXBFI-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C19H22N4O5
Exact Mass 386.15902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTyhfEqafRE
Name Xanthine, 1,3-dipropyl-8-[(4-carboxymethoxy)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 386.159019819 u
Formula C19H22N4O5
InChI InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
InChIKey QTMMGCYGCFXBFI-UHFFFAOYSA-N
Molecular Weight 386.408 g/mol
SMILES C12=C(C(N(C(N2CCC)=O)CCC)=O)N=C(N1)C1=CC=C(OCC(O)=O)C=C1