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object
{15}
_id
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E4MyKKPVsr4
spectrumID
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E4MyKKPVsr4
cost
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specType
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262144
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WRX:265509:1
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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compound
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6-(HYDROXYMETHYL)-9-(2-DEOXY-3,5-DI-O-TOLUOYL-BETA-D-ERYTHRO-PENTOFURANOSYL)-PURINE
SpectraBase Compound ID B1R71EuUi2o
InChI InChI=1S/C27H26N4O6/c1-16-3-7-18(8-4-16)26(33)35-13-22-21(37-27(34)19-9-5-17(2)6-10-19)11-23(36-22)31-15-30-24-20(12-32)28-14-29-25(24)31/h3-10,14-15,21-23,32H,11-13H2,1-2H3/t21-,22+,23+/m1/s1
InChIKey MSHUPKDKXUBUGI-VJBWXMMDSA-N
Mol Weight 502.53 g/mol
Molecular Formula C27H26N4O6
Exact Mass 502.185235 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4MyKKPVsr4
Name 6-(HYDROXYMETHYL)-9-(2-DEOXY-3,5-DI-O-TOLUOYL-BETA-D-ERYTHRO-PENTOFURANOSYL)-PURINE
Compound Number 4DD
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26N4O6
InChI InChI=1S/C27H26N4O6/c1-16-3-7-18(8-4-16)26(33)35-13-22-21(37-27(34)19-9-5-17(2)6-10-19)11-23(36-22)31-15-30-24-20(12-32)28-14-29-25(24)31/h3-10,14-15,21-23,32H,11-13H2,1-2H3/t21-,22+,23+/m1/s1
InChIKey MSHUPKDKXUBUGI-VJBWXMMDSA-N
Literature Reference Author P.SILHAR,R.POHL,I.VOTRUBA,M.HOCEK
Literature Reference Citation ORG.LETTERS,6,3225(2004)
Literature Reference DOI 10.1021/ol049059r
Molecular Weight 502.527 g/mol
Sample ID 50969
Solvent CD3OD
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