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[3,5-Diformyl-4-(2-oxo-ethyl)-4H-pyridin-1-yl]-acetic acid methyl ester
SpectraBase Compound ID L2C7E8Rv916
InChI InChI=1S/C12H13NO5/c1-18-12(17)6-13-4-9(7-15)11(2-3-14)10(5-13)8-16/h3-5,7-8,11H,2,6H2,1H3
InChIKey XOTWRWGQTAGMFA-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5X3mdAqGHon
Name [3,5-Diformyl-4-(2-oxo-ethyl)-4H-pyridin-1-yl]-acetic acid methyl ester
CAS Registry Number 118311-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-18-12(17)6-13-4-9(7-15)11(2-3-14)10(5-13)8-16/h3-5,7-8,11H,2,6H2,1H3
InChIKey XOTWRWGQTAGMFA-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C1(=CN(CC(=O)OC)C=C(C1CC=O)C=O)C=O
SPLASH splash10-0a4i-0190000000-0ef3c9696050505a4469
Source of Spectrum F-44-2800-19
Wiley ID 1254391