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2-Hydroxybenzaldehyde [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
SpectraBase Compound ID ErlOPxYfKD
InChI InChI=1S/C16H18N6O4/c1-20-13-12(14(25)21(2)16(20)26)22(7-8-23)15(18-13)19-17-9-10-5-3-4-6-11(10)24/h3-6,9,23-24H,7-8H2,1-2H3,(H,18,19)/b17-9+
InChIKey JLRSHFVJGQQTFT-RQZCQDPDSA-N
Mol Weight 358.36 g/mol
Molecular Formula C16H18N6O4
Exact Mass 358.138953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5OpzxBGaGb
Name 2-Hydroxybenzaldehyde [7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.138953080 u
Formula C16H18N6O4
InChI InChI=1S/C16H18N6O4/c1-20-13-12(14(25)21(2)16(20)26)22(7-8-23)15(18-13)19-17-9-10-5-3-4-6-11(10)24/h3-6,9,23-24H,7-8H2,1-2H3,(H,18,19)/b17-9+
InChIKey JLRSHFVJGQQTFT-RQZCQDPDSA-N
Molecular Weight 358.358 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCO)C(=N1)N\N=C\C1=C(O)C=CC=C1