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3,6-dihydro-3,7-dimethyl-2,6-dioxopurine-1(2H)-acetic acid, monohydrate
SpectraBase Compound ID 9eDhdGdDohU
InChI InChI=1S/C9H10N4O4.H2O/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2;/h4H,3H2,1-2H3,(H,14,15);1H2
InChIKey WPLOFPVYMKCOAF-UHFFFAOYSA-N
Mol Weight 256.218 g/mol
Molecular Formula C9H12N4O5
Exact Mass 256.080769 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID jJJyayJ0zI
Name 3,6-DIHYDRO-3,7-DIMETHYL-2,6-DIOXOPURINE-1(2H)-ACETIC ACID, MONOHYDRATE
Source of Sample A. MASLANKIEWICZ AND B. SYREK, SILESIAN SCHOOL OF MEDICINE, SOSNOWIEC, POLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O5
InChI InChI=1S/C9H10N4O4.H2O/c1-11-4-10-7-6(11)8(16)13(3-5(14)15)9(17)12(7)2;/h4H,3H2,1-2H3,(H,14,15);1H2
InChIKey WPLOFPVYMKCOAF-UHFFFAOYSA-N
Literature Reference ACTA POLON. PHARM. 36, 539(1979) Abstract-Chemical Abstracts= 94, 3987D(1981)
Melting Point 259-260C
Molecular Weight 256.217987
Synonyms 1-THEOBROMINEACETIC ACID, MONOHYDRATE PURINE-1/2H/-ACETIC ACID, 3,6-DI- HYDRO-3,7-DIMETHYL-2,6-DIOXO-, MONO- HYDRATE
Technique KBr WAFER