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Methyl [5-[2-(1,3-dithian-2-yl)ethyl]-3-methylfuran-2(5H-on-4-yl]-(4-oxo-2-cylopentenyl)acetate
SpectraBase Compound ID L981XD4DHLf
InChI InChI=1S/C18H22O5S2/c1-10-15(16(18(21)22-2)11-3-4-12(19)9-11)13(23-17(10)20)5-6-14-24-7-8-25-14/h3-4,10-11,14,16H,5-9H2,1-2H3
InChIKey HHZJZHZABCWBNM-UHFFFAOYSA-N
Mol Weight 382.49 g/mol
Molecular Formula C18H22O5S2
Exact Mass 382.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHeIkRyQVb4
Name Methyl [5-[2-(1,3-dithian-2-yl)ethyl]-3-methylfuran-2(5H-on-4-yl]-(4-oxo-2-cylopentenyl)acetate
CAS Registry Number 122125-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5S2
InChI InChI=1S/C18H22O5S2/c1-10-15(16(18(21)22-2)11-3-4-12(19)9-11)13(23-17(10)20)5-6-14-24-7-8-25-14/h3-4,10-11,14,16H,5-9H2,1-2H3
InChIKey HHZJZHZABCWBNM-UHFFFAOYSA-N
Molecular Weight 382.489 g/mol
SMILES C1(=C(OC(C1C)=O)CCC1SCCS1)C(C1C=CC(C1)=O)C(=O)OC
SPLASH splash10-001i-0924000000-876daf9db808ed114939
Source of Spectrum F-44-4386-5
Synonyms Methyl {2-[2-(1,3-dithiolan-2-yl)ethyl]-4-methyl-5-oxo-4,5-dihydro-3-furanyl}(4-oxo-2-cyclopenten-1-yl)acetate Methyl[5-[2-(1,3-dithian-2-yl)ethyl]-3-methylfuran-2(5H0-on-4-yl]-(4-oxo-2-cylopentenyl)acetate
Wiley ID 1360429