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(2-thenoyl)pyruvic acid, octyl ester

View entire compound with spectra: 1 NMR

(2-thenoyl)pyruvic acid, octyl ester
SpectraBase Compound ID 2ZLsgJWGOrX
InChI InChI=1S/2C16H22O4S/c2*1-2-3-4-5-6-7-10-20-16(19)14(18)12-13(17)15-9-8-11-21-15/h8-9,11H,2-7,10,12H2,1H3;8-9,11-12,17H,2-7,10H2,1H3/b;13-12-
InChIKey YKFRICUTJOQWGU-TVIDHEMESA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5mmqL34mtkv
Name (2-THENOYL)PYRUVIC ACID, OCTYL ESTER
Source of Sample H. Keskin, University of Istanbul, Istanbul, Turkey
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/2C16H22O4S/c2*1-2-3-4-5-6-7-10-20-16(19)14(18)12-13(17)15-9-8-11-21-15/h8-9,11H,2-7,10,12H2,1H3;8-9,11-12,17H,2-7,10H2,1H3/b;13-12-
InChIKey YKFRICUTJOQWGU-TVIDHEMESA-N
Melting Point 42.5-43C
Molecular Weight 310.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRIC ACID, 2,4-DIOXO- 4-/2-THIENYL/-, OCTYL ESTER PYRUVIC ACID, /2-THENOYL/-, OCTYL ESTER