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PFWLFWPASULGAN-UHFFFAOYSA-N

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PFWLFWPASULGAN-UHFFFAOYSA-N
SpectraBase Compound ID ElkCQCdSAba
InChI InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N
Mol Weight 166.14 g/mol
Molecular Formula C6H6N4O2
Exact Mass 166.049075 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E8bnpm4Rr4Y
Name 7-Methylxanthine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 360252
CAS Registry Number 552-62-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4O2
InChI InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,6-Dihydroxy-7-methylpurine, Heteroxanthine
Wiley ID SIAL_13CNMR_007468