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8-Cyclopentyl-3-(3-hydroxypropyl)-1-propyl-3,7-dihydropurine-2,6-dione

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

8-Cyclopentyl-3-(3-hydroxypropyl)-1-propyl-3,7-dihydropurine-2,6-dione
SpectraBase Compound ID 8XaIeOr0MzW
InChI InChI=1S/C16H24N4O3/c1-2-8-20-15(22)12-14(19(16(20)23)9-5-10-21)18-13(17-12)11-6-3-4-7-11/h11,21H,2-10H2,1H3,(H,17,18)
InChIKey JIMRXOSHDPMNSO-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C16H24N4O3
Exact Mass 320.184841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ec4Xl8ODQ8r
Name 8-Cyclopentyl-3-(3-hydroxypropyl)-1-propyl-3,7-dihydropurine-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.184840646 u
Formula C16H24N4O3
InChI InChI=1S/C16H24N4O3/c1-2-8-20-15(22)12-14(19(16(20)23)9-5-10-21)18-13(17-12)11-6-3-4-7-11/h11,21H,2-10H2,1H3,(H,17,18)
InChIKey JIMRXOSHDPMNSO-UHFFFAOYSA-N
Molecular Weight 320.393 g/mol
SMILES C12=C(C(=O)N(C(N2CCCO)=O)CCC)NC(=N1)C1CCCC1