For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N6-Benzoyl-2'-deoxyadenosine hydrate

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

N6-Benzoyl-2'-deoxyadenosine hydrate
SpectraBase Compound ID x7nljsYaks
InChI InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1
InChIKey WRMYMWRRSSDKIJ-LUHWTZLKSA-N
Mol Weight 371.35 g/mol
Molecular Formula C17H17N5O5
Exact Mass 371.122969 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CKDWNoJFnpj
Name N-[9-(2-DEOXY-beta-D-RIBOFURANOSYL)-9H-PURINE-6-YL]BENZAMIDE, HYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 4546-72-9
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O4 H2O
InChI InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1
InChIKey WRMYMWRRSSDKIJ-LUHWTZLKSA-N
Melting Point 120-122C
Molecular Weight 373.37
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20