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Propanedioic acid, [[6-(2-acetyl-3-oxobutyl)-2-pyridinyl]methyl]-, diethyl ester
SpectraBase Compound ID Ctjfx21T7qI
InChI InChI=1S/C19H25NO6/c1-5-25-18(23)16(12(3)21)10-14-8-7-9-15(20-14)11-17(13(4)22)19(24)26-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKey DUBWBEADDAVDAJ-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C19H25NO6
Exact Mass 363.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lXTccRFtmm
Name Propanedioic acid, [[6-(2-acetyl-3-oxobutyl)-2-pyridinyl]methyl]-, diethyl ester
CAS Registry Number 77503-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO6
InChI InChI=1S/C19H25NO6/c1-5-25-18(23)16(12(3)21)10-14-8-7-9-15(20-14)11-17(13(4)22)19(24)26-6-2/h7-9,16-17H,5-6,10-11H2,1-4H3
InChIKey DUBWBEADDAVDAJ-UHFFFAOYSA-N
Molecular Weight 363.410 g/mol
SMILES C(C(=O)OCC)(C(=O)C)Cc1nc(CC(C(=O)OCC)C(=O)C)ccc1
SPLASH splash10-00di-2689000000-459ad2954dec9cf74e2c
Source of Spectrum C-103-3427-0
Synonyms 2,6-bis(2-carbethoxy-3-ketobutyl)pyridine Ethyl 2-({6-[2-(ethoxycarbonyl)-3-oxobutyl]-2-pyridinyl}methyl)-3-oxobutanoate
Wiley ID 1350217