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5-[2-(METHOXYCARBONYL)-1-METHOXYETHYL]-TUBERCIDIN

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5-[2-(METHOXYCARBONYL)-1-METHOXYETHYL]-TUBERCIDIN
SpectraBase Compound ID 9jWdIUAbJi5
InChI InChI=1S/C16H22N4O7/c1-25-8(3-10(22)26-2)7-4-20(15-11(7)14(17)18-6-19-15)16-13(24)12(23)9(5-21)27-16/h4,6,8-9,12-13,16,21,23-24H,3,5H2,1-2H3,(H2,17,18,19)
InChIKey ZNBQTDPZKITPRT-UHFFFAOYSA-N
Mol Weight 382.37 g/mol
Molecular Formula C16H22N4O7
Exact Mass 382.148849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBaKJqBT660
Name 5-[2-(METHOXYCARBONYL)-1-METHOXYETHYL]-TUBERCIDIN
CAS Registry Number 76319-80-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22N4O7
InChI InChI=1S/C16H22N4O7/c1-25-8(3-10(22)26-2)7-4-20(15-11(7)14(17)18-6-19-15)16-13(24)12(23)9(5-21)27-16/h4,6,8-9,12-13,16,21,23-24H,3,5H2,1-2H3,(H2,17,18,19)
InChIKey ZNBQTDPZKITPRT-UHFFFAOYSA-N
Literature Reference Author D.E.BERGSTROM,A.J.BRATTESANI,M.K.OGAWA,M.J.SCHWEICKERT
Literature Reference Citation J.ORG.CHEM.,46,1423(1981)
Literature Reference DOI 10.1021/jo00320a038
Molecular Weight 382.373 g/mol
Solvent DMSO-D6
Source File Reference UWWR743