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1-Butyl-8-cyclopentyl-3-(3-hydroxypropyl)-3,7-dihydropurine-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Butyl-8-cyclopentyl-3-(3-hydroxypropyl)-3,7-dihydropurine-2,6-dione
SpectraBase Compound ID Frhr4fDzW1X
InChI InChI=1S/C17H26N4O3/c1-2-3-9-21-16(23)13-15(20(17(21)24)10-6-11-22)19-14(18-13)12-7-4-5-8-12/h12,22H,2-11H2,1H3,(H,18,19)
InChIKey GHGBWNYVJHMBFS-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C17H26N4O3
Exact Mass 334.200491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KANUI713Jho
Name 1-Butyl-8-cyclopentyl-3-(3-hydroxypropyl)-3,7-dihydropurine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.200490710 u
Formula C17H26N4O3
InChI InChI=1S/C17H26N4O3/c1-2-3-9-21-16(23)13-15(20(17(21)24)10-6-11-22)19-14(18-13)12-7-4-5-8-12/h12,22H,2-11H2,1H3,(H,18,19)
InChIKey GHGBWNYVJHMBFS-UHFFFAOYSA-N
Molecular Weight 334.420 g/mol
SMILES C12=C(C(=O)N(C(N2CCCO)=O)CCCC)NC(=N1)C1CCCC1