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7-Oxa[10]-.alpha.-cyclothiene-1,6-dione
SpectraBase Compound ID CatAaWYWWWy
InChI InChI=1S/C13H16O3S/c14-11-5-1-2-6-13(15)16-9-3-4-10-7-8-12(11)17-10/h7-8H,1-6,9H2
InChIKey UCKHROGMGDMWPS-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlkhHjXO6XM
Name 7-Oxa[10]-.alpha.-cyclothiene-1,6-dione
Alternate Name(s) 5-Oxa-15-thiabicyclo[10.2.1]pentadeca-1(14),12-diene-6,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c14-11-5-1-2-6-13(15)16-9-3-4-10-7-8-12(11)17-10/h7-8H,1-6,9H2
InChIKey UCKHROGMGDMWPS-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES c12sc(CCCOC(CCCCC2=O)=O)cc1
SPLASH splash10-000f-9520000000-3a94c1247eab305ba8b5
Source of Spectrum HC-11-33-3
Wiley ID 1255309