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9-benzyl-1-methylisoguanine

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9-benzyl-1-methylisoguanine
SpectraBase Compound ID 5w4fu8VFShT
InChI InChI=1S/C13H13N5O/c1-17-11(14)10-12(16-13(17)19)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3,(H,16,19)
InChIKey CPWSNADFAQSJFS-UHFFFAOYSA-N
Mol Weight 255.28 g/mol
Molecular Formula C13H13N5O
Exact Mass 255.11201 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1HWE7LoezZl
Name 9-BENZYL-1-METHYLISOGUANINE
Source of Sample K. Grozinger, Boehringer Ingelheim Ltd., Ridgefield, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5O
InChI InChI=1S/C13H13N5O/c1-17-11(14)10-12(16-13(17)19)18(8-15-10)7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3,(H,16,19)
InChIKey CPWSNADFAQSJFS-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM. 18, 221(1983) Abstract-Chemical Abstracts= 99, 158109W(1983)
Melting Point 236-237C
Molecular Weight 255.281006
Synonyms ISOGUANINE, 9-BENZYL-1-METHYL-,
Technique KBr WAFER