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N4-Benzoyl-2'-deoxycytidine

View entire compound with spectra: 4 NMR, 3 FTIR, and 1 Raman

N4-Benzoyl-2'-deoxycytidine
SpectraBase Compound ID 2iH0Arm2Bky
InChI InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1
InChIKey MPSJHJFNKMUKCN-OUCADQQQSA-N
Mol Weight 331.33 g/mol
Molecular Formula C16H17N3O5
Exact Mass 331.116821 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lx2clRaVSHK
Name N-[1-(2-DEOXY-beta-D-erythro-PENTOFURANOSYL)-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL]BENZAMIDE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 4836-13-9
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O5
InChI InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1
InChIKey MPSJHJFNKMUKCN-OUCADQQQSA-N
Melting Point 215-220C (dec.)
Molecular Weight 331.33
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20