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1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahyropurine-7-acetic acid, p-tolyl ester

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

1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahyropurine-7-acetic acid, p-tolyl ester
SpectraBase Compound ID EqmG92nSmB8
InChI InChI=1S/C16H16N4O4/c1-10-4-6-11(7-5-10)24-12(21)8-20-9-17-14-13(20)15(22)19(3)16(23)18(14)2/h4-7,9H,8H2,1-3H3
InChIKey IHXWHFPBVBFTRX-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C16H16N4O4
Exact Mass 328.117155 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9rUne1EM3hM
Name 1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDROPURINE-7-ACETIC ACID, p-TOLYL 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 C16H16N4O4
InChI InChI=1S/C16H16N4O4/c1-10-4-6-11(7-5-10)24-12(21)8-20-9-17-14-13(20)15(22)19(3)16(23)18(14)2/h4-7,9H,8H2,1-3H3
InChIKey IHXWHFPBVBFTRX-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 69, 43890(1968)
Melting Point 143-144C
Molecular Weight 328.328003
Synonyms 7-THEOPHYLLINEACETIC ACID, P-TOLYL ESTER PURINE-7-ACETIC ACID, 1,3-DIMETHYL- 2,6-DIOXO-1,2,3,6-TETRAHYDRO-, P-TOLYL ESTER
Technique KBr WAFER