For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Xanthine, 8-[4-[(aminocarbonyl)methoxy]phenyl]-1,3-dipropyl-
SpectraBase Compound ID 8CO7QSprEuw
InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
InChIKey RFYZESCOUUACOW-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C19H23N5O4
Exact Mass 385.175004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F3m9P1xtytW
Name Xanthine, 8-[4-[(aminocarbonyl)methoxy]phenyl]-1,3-dipropyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.175004237 u
Formula C19H23N5O4
InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
InChIKey RFYZESCOUUACOW-UHFFFAOYSA-N
Molecular Weight 385.424 g/mol
SMILES C12=C(C(N(C(N2CCC)=O)CCC)=O)N=C(N1)C1=CC=C(C=C1)OCC(N)=O