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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzamIeZZeFQ
Name 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-
CAS Registry Number 611-59-6
Copyright Copyright © 2020-2024 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
Molecular Weight 180.167 g/mol
SMILES N1C(N(C(c2c1nc[n]2C)=O)C)=O
SPLASH splash10-00lr-4900000000-b74d2418102dd9c1328e
Source of Spectrum B4-0-0-0
Synonyms 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 1,7-Dimethyl-3H-purine-2,6-dione 1,7-Dimethylxanthine 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione p-Xanthine Paraxanthine Xanthine, 1,7-dimethyl- BRN 0197907 EINECS 210-271-9 NSC 400018
Wiley ID 1175764