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5-Oxa[10]-.alpha.-cyclothiene-1,4-dione
SpectraBase Compound ID 2gyQs12jKqq
InChI InChI=1S/C13H16O3S/c14-11-6-8-13(15)16-9-3-1-2-4-10-5-7-12(11)17-10/h5,7H,1-4,6,8-9H2
InChIKey SWJUPWVHHFVZBR-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 5Px0TzNFwh1
Name 5-Oxa[10]-.alpha.-cyclothiene-1,4-dione
Alternate Name(s) 6-Oxa-15-thiabicyclo[10.2.1]pentadeca-1(14),12-diene-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c14-11-6-8-13(15)16-9-3-1-2-4-10-5-7-12(11)17-10/h5,7H,1-4,6,8-9H2
InChIKey SWJUPWVHHFVZBR-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES c12sc(CCCCCOC(CCC2=O)=O)cc1
SPLASH splash10-0006-9310000000-0330de44e6f8084eec13
Source of Spectrum HC-11-33-1
Wiley ID 1255307