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2,3,5,6-Tetradeuterio-4-pyridinecarboxylic acid ethyl ester
SpectraBase Compound ID AUpVvhzFC2B
InChI InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3/i3D,4D,5D,6D
InChIKey MCRPKBUFXAKDKI-LNFUJOGGSA-N
Mol Weight 155.19 g/mol
Molecular Formula C8H5D4NO2
Exact Mass 155.088436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtvHjdG1CtU
Name 2,3,5,6-Tetradeuterio-4-pyridinecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5D4NO2
InChI InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3/i3D,4D,5D,6D
InChIKey MCRPKBUFXAKDKI-LNFUJOGGSA-N
Molecular Weight 155.189 g/mol
SMILES C(=O)(c1c(c([D])nc(c1[D])[D])[D])OCC
SPLASH splash10-08i0-0900000000-f8b7cec4f9cfaa40fd68
Source of Spectrum N2-40-8-0
Synonyms 2,3,5,6-Tetradeuterioisonicotinic acid ethyl ester Ethyl 2,3,5,6-tetradeuteriopyridine-4-carboxylate
Wiley ID 1148203