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isonicotinic acid, ethyl ester
SpectraBase Compound ID Dv82J3tMc1i
InChI InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChIKey MCRPKBUFXAKDKI-UHFFFAOYSA-N
Mol Weight 151.16 g/mol
Molecular Formula C8H9NO2
Exact Mass 151.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Do7hnQ3XAsS
Name 4-Pyridinecarboxylic acid ethyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 151.063328532 u
Formula C8H9NO2
InChI InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChIKey MCRPKBUFXAKDKI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 151.165 g/mol
Nominal Mass 151 u
Quality 900
Retention Index 1162
SMILES C=1(C(OCC)=O)C=CN=CC1
SPLASH splash10-0pk9-5900000000-bf639c9b01f7ec188b2f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ethyl Isonicotinate Ethyl pyridine-4-carboxylate
Technique GC/MS
Wiley ID DD2024_013338