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5-BROMO-(2,6-DIHYDROXYPHENYL)-N-(1)-(TERT.-BUTOXYCARBONYLMETHYL)-CYTOSINE
SpectraBase Compound ID 1s4w8wvMsq7
InChI InChI=1S/C16H18BrN3O5/c1-16(2,3)25-12(23)8-20-7-9(17)14(19-15(20)24)18-13-10(21)5-4-6-11(13)22/h4-7,21-22H,8H2,1-3H3,(H,18,19,24)
InChIKey ZCVUBZCVBKDNPN-UHFFFAOYSA-N
Mol Weight 412.24 g/mol
Molecular Formula C16H18BrN3O5
Exact Mass 411.042984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrIl95kYY54
Name 5-BROMO-(2,6-DIHYDROXYPHENYL)-N-(1)-(TERT.-BUTOXYCARBONYLMETHYL)-CYTOSINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18BrN3O5
InChI InChI=1S/C16H18BrN3O5/c1-16(2,3)25-12(23)8-20-7-9(17)14(19-15(20)24)18-13-10(21)5-4-6-11(13)22/h4-7,21-22H,8H2,1-3H3,(H,18,19,24)
InChIKey ZCVUBZCVBKDNPN-UHFFFAOYSA-N
Literature Reference Author C.AUSIN,J.A.ORTEGA,J.ROBLES,A.GRANDAS,E.PEDROSO
Literature Reference Citation ORG.LETTERS,4,4073(2002)
Literature Reference DOI 10.1021/ol026815p
Molecular Weight 412.240 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ25138