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

*Links on SpectraBase are not permalinks.

8-hexahydro-1H-azepin-1-yl-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-hexahydro-1H-azepin-1-yl-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EfrZLrXWIXr
InChI InChI=1S/C22H29N5O4/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-12-8-3-4-9-13-26)14-16(28)15-31-17-10-6-5-7-11-17/h5-7,10-11,16,28H,3-4,8-9,12-15H2,1-2H3
InChIKey YNARQTRGBVMTCM-UHFFFAOYSA-N
Mol Weight 427.51 g/mol
Molecular Formula C22H29N5O4
Exact Mass 427.221954 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 59IzQ5bUsba
Name 8-Hexahydro-1H-azepin-1-yl-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.221954430 u
Formula C22H29N5O4
InChI InChI=1S/C22H29N5O4/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-12-8-3-4-9-13-26)14-16(28)15-31-17-10-6-5-7-11-17/h5-7,10-11,16,28H,3-4,8-9,12-15H2,1-2H3
InChIKey YNARQTRGBVMTCM-UHFFFAOYSA-N
Molecular Weight 427.505 g/mol
SMILES OC(CN1C2=C(N=C1N1CCCCCC1)N(C(N(C)C2=O)=O)C)COC1=CC=CC=C1