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2,6-dioxo-1-methyl-1,2,3,6-tetrahydropurine-3-butyric acid
SpectraBase Compound ID EFQychpJRD9
InChI InChI=1S/C10H12N4O4/c1-13-9(17)7-8(12-5-11-7)14(10(13)18)4-2-3-6(15)16/h5H,2-4H2,1H3,(H,11,12)(H,15,16)
InChIKey SHSDGDIOAXTJRC-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 556JdflaFvo
Name 2,6-DIOXO-1-METHYL-1,2,3,6-TETRAHYDROPURINE-3-BUTYRIC ACID
Source of Sample M. Hu, Syva Company, Palo Alto, California
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O4
InChI InChI=1S/C10H12N4O4/c1-13-9(17)7-8(12-5-11-7)14(10(13)18)4-2-3-6(15)16/h5H,2-4H2,1H3,(H,11,12)(H,15,16)
InChIKey SHSDGDIOAXTJRC-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 45, 1711(1980) Abstract-Chemical Abstracts= 92, 198358(1980)
Melting Point 220-222C
Molecular Weight 252.229996
Synonyms PURINE-3-BUTYRIC ACID, 2,6-DIOXO- 1-METHYL-1,2,3,6-TETRAHYDRO-,
Technique FILM (CAST FROM ACETONE)