Debug Info

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_id
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2BGbEV2ZulV
spectrumID
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2BGbEV2ZulV
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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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3,4,5-TRIMETHOXYBENZOIC-ACID-2-PYRIDINYLMETHYLESTER
SpectraBase Compound ID HJLQ6XYuNIo
InChI InChI=1S/C16H17NO5/c1-19-13-8-11(9-14(20-2)15(13)21-3)16(18)22-10-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3
InChIKey CGNIECLNXZIDJV-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 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 2BGbEV2ZulV
Name 3,4,5-TRIMETHOXYBENZOIC-ACID-2-PYRIDINYLMETHYLESTER
Compound Number 4D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-19-13-8-11(9-14(20-2)15(13)21-3)16(18)22-10-12-6-4-5-7-17-12/h4-9H,10H2,1-3H3
InChIKey CGNIECLNXZIDJV-UHFFFAOYSA-N
Literature Reference Author N.CHATANI,H.TATAMIDANI,Y.IE,F.KAKIUCHI,S.MURAI
Literature Reference Citation J.AM.CHEM.SOC.,123,4849(2001)
Literature Reference DOI 10.1021/ja0103501
Molecular Weight 303.315 g/mol
Solvent CDCl3
Source File Reference UWVN27877
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