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2-(3-ketobutyl)-1,3-dithiolane-2-carboxylic acid ethyl ester
SpectraBase Compound ID JMX1LU2rseB
InChI InChI=1S/C10H16O3S2/c1-3-13-9(12)10(5-4-8(2)11)14-6-7-15-10/h3-7H2,1-2H3
InChIKey MFEACZYUONUGSE-UHFFFAOYSA-N
Mol Weight 248.35 g/mol
Molecular Formula C10H16O3S2
Exact Mass 248.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fOCeVWGwbw
Name 2-(3-ketobutyl)-1,3-dithiolane-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3S2
InChI InChI=1S/C10H16O3S2/c1-3-13-9(12)10(5-4-8(2)11)14-6-7-15-10/h3-7H2,1-2H3
InChIKey MFEACZYUONUGSE-UHFFFAOYSA-N
Molecular Weight 248.355 g/mol
SMILES C1(C(=O)OCC)(SCCS1)CCC(=O)C
SPLASH splash10-004i-0900000000-ab4627220a18cffedb0b
Source of Spectrum J-59-1631-12
Synonyms 2-(3-oxobutyl)-1,3-dithiolane-2-carboxylic acid ethyl ester Ethyl 2-(3-oxidanylidenebutyl)-1,3-dithiolane-2-carboxylate Ethyl 2-(3-oxobutyl)-1,3-dithiolane-2-carboxylate
Wiley ID 1250508