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9-(methoxymethyl)-1-methylisoguanine, hemihydrate
SpectraBase Compound ID EgkLR8ceZD2
InChI InChI=1S/2C8H11N5O2.H2O/c2*1-12-6(9)5-7(11-8(12)14)13(3-10-5)4-15-2;/h2*3,9H,4H2,1-2H3,(H,11,14);1H2
InChIKey WDNRMUZTNVOGRR-UHFFFAOYSA-N
Mol Weight 218.216 g/mol
Molecular Formula C8H11N5O2·½H2O
Exact Mass 218.096557 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HHnPbqO695z
Name 9-(METHOXYMETHYL)-1-METHYLISOGUANINE, HEMIHYDRATE
Source of Sample K. Grozinger, Boehringer Ingelheim Ltd., Ridgefield, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24N10O5
InChI InChI=1S/2C8H11N5O2.H2O/c2*1-12-6(9)5-7(11-8(12)14)13(3-10-5)4-15-2;/h2*3,9H,4H2,1-2H3,(H,11,14);1H2
InChIKey WDNRMUZTNVOGRR-UHFFFAOYSA-N
Literature Reference EUR. J. MED. CHEM. 18, 221(1983) Abstract-Chemical Abstracts= 99, 158109W(1983)
Melting Point 216-218C
Molecular Weight 436.433014
Synonyms ISOGUANINE, 9-/METHOXYMETHYL/- 1-METHYL-, HEMIHYDRATE
Technique KBr WAFER