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N-Benzyl-N-nitrosoadenosine

View entire compound with spectra: 1 NMR

N-Benzyl-N-nitrosoadenosine
SpectraBase Compound ID LbYRJjewfLJ
InChI InChI=1S/C17H18N6O5/c24-7-11-13(25)14(26)17(28-11)22-9-20-12-15(22)18-8-19-16(12)23(21-27)6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-26H,6-7H2
InChIKey WKLDGCOIEPUPES-UHFFFAOYSA-N
Mol Weight 386.37 g/mol
Molecular Formula C17H18N6O5
Exact Mass 386.133868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ef6iTclMiG
Name N-Benzyl-N-nitrosoadenosine
Comments Computed using HOSE algorithm
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Exact Mass 386.133867699 u
Formula C17H18N6O5
InChI InChI=1S/C17H18N6O5/c24-7-11-13(25)14(26)17(28-11)22-9-20-12-15(22)18-8-19-16(12)23(21-27)6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-26H,6-7H2
InChIKey WKLDGCOIEPUPES-UHFFFAOYSA-N
Molecular Weight 386.368 g/mol
SMILES C1(=NC=NC2=C1N=CN2C1OC(C(O)C1O)CO)N(CC=1C=CC=CC1)N=O