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1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine-7-acetic acid, phenyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine-7-acetic acid, phenyl ester
SpectraBase Compound ID IG5JihEreSQ
InChI InChI=1S/C15H14N4O4/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)8-11(20)23-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey LMAXTNJVBYMHDB-UHFFFAOYSA-N
Mol Weight 314.3 g/mol
Molecular Formula C15H14N4O4
Exact Mass 314.101505 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EEMktpamSU1
Name 1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPURINE-7-ACETIC ACID, PHENYL ESTER
Source of Sample F. Banci, Dott. R. Ravasini & Cia, Rome, Italy
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N4O4
InChI InChI=1S/C15H14N4O4/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)8-11(20)23-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey LMAXTNJVBYMHDB-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 69, 43890(1968)
Melting Point 134-134.5C
Molecular Weight 314.300995
Synonyms 7-THEOPHYLLINEACETIC ACID, PHENYL ESTER PURINE-7-ACETIC ACID, 1,3-DIMETHYL- 2,6-DIOXO-1,2,3,6-TETRAHYDRO-, PHENYL ESTER
Technique KBr WAFER