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N-cycloctyladenosine, hemihydrate

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

N-cycloctyladenosine, hemihydrate
SpectraBase Compound ID 5pfwLl55Uoj
InChI InChI=1S/2C18H27N5O4.H2O/c2*24-8-12-14(25)15(26)18(27-12)23-10-21-13-16(19-9-20-17(13)23)22-11-6-4-2-1-3-5-7-11;/h2*9-12,14-15,18,24-26H,1-8H2,(H,19,20,22);1H2/t2*12-,14-,15-,18-;/m11./s1
InChIKey SCZZEVSKWNWLLW-UXYIIXGMSA-N
Mol Weight 386.453 g/mol
Molecular Formula C18H27N5O4·½H2O
Exact Mass 386.211587 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FxINm7iI8AF
Name N-CYCLOOCTYLADENOSINE, HEMIHYDRATE
Source of Sample K. Kikugawa, Kohjin Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56N10O9
InChI InChI=1S/2C18H27N5O4.H2O/c2*24-8-12-14(25)15(26)18(27-12)23-10-21-13-16(19-9-20-17(13)23)22-11-6-4-2-1-3-5-7-11;/h2*9-12,14-15,18,24-26H,1-8H2,(H,19,20,22);1H2/t2*12-,14-,15-,18-;/m11./s1
InChIKey SCZZEVSKWNWLLW-UXYIIXGMSA-N
Literature Reference J. MED. CHEM. 16, 358(1973)
Melting Point 167-168C
Molecular Weight 772.905029
Synonyms ADENOSINE, N-CYCLOOCTYL-, HEMI- HYDRATE
Technique KBr WAFER