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3,6-dihydro-3,7-dimethyl-3,6-dioxopurine-1(2H)-acetic acid, methyl ester
SpectraBase Compound ID C9upA8jI0tJ
InChI InChI=1S/C10H12N4O4/c1-12-5-11-8-7(12)9(16)14(4-6(15)18-3)10(17)13(8)2/h5H,4H2,1-3H3
InChIKey QBBQMGKHYDIFOP-UHFFFAOYSA-N
Mol Weight 252.23 g/mol
Molecular Formula C10H12N4O4
Exact Mass 252.085855 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HDcX5T0rEX0
Name 3,6-DIHYDRO-3,7-DIMETHYL-2,6-DIOXOPURINE-1(2H)-ACETIC ACID, METHYL ESTER
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 C10H12N4O4
InChI InChI=1S/C10H12N4O4/c1-12-5-11-8-7(12)9(16)14(4-6(15)18-3)10(17)13(8)2/h5H,4H2,1-3H3
InChIKey QBBQMGKHYDIFOP-UHFFFAOYSA-N
Literature Reference ACTA POLON. PHARM. 36, 539(1979) Abstract-Chemical Abstracts= 94, 3987D(1981)
Melting Point 179-180C
Molecular Weight 252.229996
Synonyms PURINE-1/2H/-ACETIC ACID, 3,6-DI- HYDRO-3,7-DIMETHYL-2,6-DIOXO-, METHYL ESTER 1-THEOBROMINEACETIC ACID, METHYL ESTER
Technique KBr WAFER