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4-Pyridinecarboxylic acid 1,1-dideutero-ethyl ester
SpectraBase Compound ID 5MPkNjRF5Jh
InChI InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3/i2D2
InChIKey MCRPKBUFXAKDKI-CBTSVUPCSA-N
Mol Weight 153.18 g/mol
Molecular Formula C8H7D2NO2
Exact Mass 153.075882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2SN4BZIo6e
Name 4-Pyridinecarboxylic acid 1,1-dideutero-ethyl ester
Alternate Name(s) (1,1-2H2)Ethyl 4-pyridine carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7D2NO2
InChI InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3/i2D2
InChIKey MCRPKBUFXAKDKI-CBTSVUPCSA-N
Molecular Weight 153.177 g/mol
SMILES C(=O)(c1ccncc1)OC(C)([D])[D]
SPLASH splash10-0pi0-0900000000-4e7edf161e3bdfb1a1b9
Source of Spectrum N2-40-8-0
Wiley ID 1148198