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Xanthine, 8-[4-[2-(ethoxycarbonyl)aminoethyl]aminocarbonylmethoxy]-

View entire compound with spectra: 1 NMR

Xanthine, 8-[4-[2-(ethoxycarbonyl)aminoethyl]aminocarbonylmethoxy]-
SpectraBase Compound ID HP0IPAxnZvZ
InChI InChI=1S/C24H32N6O6/c1-4-13-29-21-19(22(32)30(14-5-2)24(29)34)27-20(28-21)16-7-9-17(10-8-16)36-15-18(31)25-11-12-26-23(33)35-6-3/h7-10H,4-6,11-15H2,1-3H3,(H,25,31)(H,26,33)(H,27,28)
InChIKey QACVPKRXSKBTNX-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C24H32N6O6
Exact Mass 500.238333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuYw7KQTvsn
Name Xanthine, 8-[4-[2-(ethoxycarbonyl)aminoethyl]aminocarbonylmethoxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.238332768 u
Formula C24H32N6O6
InChI InChI=1S/C24H32N6O6/c1-4-13-29-21-19(22(32)30(14-5-2)24(29)34)27-20(28-21)16-7-9-17(10-8-16)36-15-18(31)25-11-12-26-23(33)35-6-3/h7-10H,4-6,11-15H2,1-3H3,(H,25,31)(H,26,33)(H,27,28)
InChIKey QACVPKRXSKBTNX-UHFFFAOYSA-N
Molecular Weight 500.556 g/mol
SMILES C1(=CC=C(C=C1)OCC(NCCNC(=O)OCC)=O)C1=NC2=C(C(N(CCC)C(N2CCC)=O)=O)N1