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6-imino-1-methyl-2-oxopurine-7-butyric acid, ethyl ester
SpectraBase Compound ID Gqe4A3DLyyw
InChI InChI=1S/C12H17N5O3/c1-3-20-8(18)5-4-6-17-7-14-11-9(17)10(13)16(2)12(19)15-11/h7,13H,3-6H2,1-2H3,(H,15,19)
InChIKey XWKVPUYCZUDHRC-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C12H17N5O3
Exact Mass 279.133139 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID EahFdwjsbdX
Name 6-IMINO-1-METHYL-2-OXOPURINE-7-BUTYRIC ACID, ETHYL ESTER
Source of Sample K. Grozinger, Boehringer Ingelheim Ltd., Ridgefield, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N5O3
InChI InChI=1S/C12H17N5O3/c1-3-20-8(18)5-4-6-17-7-14-11-9(17)10(13)16(2)12(19)15-11/h7,13H,3-6H2,1-2H3,(H,15,19)
InChIKey XWKVPUYCZUDHRC-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM. 18, 221(1983) Abstract-Chemical Abstracts= 99, 158109W(1983)
Melting Point 163-164C
Molecular Weight 279.299988
Synonyms PURINE-7-BUTYRIC ACID, 6-IMINO- 1-METHYL-2-OXO-, ETHYL ESTER
Technique KBr WAFER