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2(5H)-Furanone, 5-(1,3-dithian-2-ylmethyl)-3-methyl-4-[(3-oxo-1-cyclopenten-1-yl)methyl]-, (.+-.)-
SpectraBase Compound ID dqzoIZfkMs
InChI InChI=1S/C16H20O3S2/c1-10-13(8-11-3-4-12(17)7-11)14(19-16(10)18)9-15-20-5-2-6-21-15/h7,14-15H,2-6,8-9H2,1H3
InChIKey OPQAWCGERKLVFG-UHFFFAOYSA-N
Mol Weight 324.45 g/mol
Molecular Formula C16H20O3S2
Exact Mass 324.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKeK6kmQWdQ
Name 2(5H)-Furanone, 5-(1,3-dithian-2-ylmethyl)-3-methyl-4-[(3-oxo-1-cyclopenten-1-yl)methyl]-, (.+-.)-
Alternate Name(s) 5-(1,3-dithian-2-ylmethyl)-3-methyl-4-[(3-oxo-1-cyclopenten-1-yl)methyl]-2(5H)-furanone 5-[2-(1,3-dithian-2-yl)ethyl]-3-methyl-4-(3-oxo-1-cyclopentenyl)methylfuran-2(5H)-one
CAS Registry Number 122125-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3S2
InChI InChI=1S/C16H20O3S2/c1-10-13(8-11-3-4-12(17)7-11)14(19-16(10)18)9-15-20-5-2-6-21-15/h7,14-15H,2-6,8-9H2,1H3
InChIKey OPQAWCGERKLVFG-UHFFFAOYSA-N
Molecular Weight 324.453 g/mol
SMILES C1(=C(C(=O)OC1CC1SCCCS1)C)CC1=CC(=O)CC1
SPLASH splash10-014i-0931000000-dfdf53f6418f69c46c8c
Source of Spectrum F-44-4386-6
Wiley ID 1323008