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3,6-dihydro-3,7-dimethyl-2,6-dioxopurine-1(2H)-acetic acid, o-tolyl ester
SpectraBase Compound ID Im8sg773AvD
InChI InChI=1S/C16H16N4O4/c1-10-6-4-5-7-11(10)24-12(21)8-20-15(22)13-14(17-9-18(13)2)19(3)16(20)23/h4-7,9H,8H2,1-3H3
InChIKey BFVDICKXUCEYGP-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 6IGLZoUwndQ
Name 3,6-DIHYDRO-3,7-DIMETHYL-2,6-DIOXOPURINE-1(2H)-ACETIC ACID, o-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/c1-10-6-4-5-7-11(10)24-12(21)8-20-15(22)13-14(17-9-18(13)2)19(3)16(20)23/h4-7,9H,8H2,1-3H3
InChIKey BFVDICKXUCEYGP-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 69, 43890(1968)
Melting Point 163-163.5C
Molecular Weight 328.328003
Synonyms 1-THEOBROMINEACETIC ACID, O-TOLYL ESTER PURINE-1/2H/-ACETIC ACID, 3,6-DI- HYDRO-3,7-DIMETHYL-2,6-DIOXO-, O-TOLYL ESTER
Technique KBr WAFER