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1,7-Dimethylxanthine

View entire compound with spectra: 3 NMR, 1 FTIR, and 6 MS (GC)

1,7-Dimethylxanthine
SpectraBase Compound ID 7ENf0E1NLTv
InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKey QUNWUDVFRNGTCO-UHFFFAOYSA-N
Mol Weight 180.17 g/mol
Molecular Formula C7H8N4O2
Exact Mass 180.064726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EBL1UCyFkHB
Name 1,7-Dimethylxanthine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 271519
CAS Registry Number 611-59-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N4O2
InChI InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKey QUNWUDVFRNGTCO-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione
Wiley ID SIAL_1HNMR_004878