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3-(4-Oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate
SpectraBase Compound ID 65zuRJZuGuP
InChI InChI=1S/C11H16O3S2/c1-9(13)14-11-10(5-2-3-6-12)15-7-4-8-16-11/h6H,2-5,7-8H2,1H3
InChIKey IHANAJWOUAVVSC-UHFFFAOYSA-N
Mol Weight 260.37 g/mol
Molecular Formula C11H16O3S2
Exact Mass 260.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XClkUDu7fc
Name 3-(4-Oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate
CAS Registry Number 70068-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3S2
InChI InChI=1S/C11H16O3S2/c1-9(13)14-11-10(5-2-3-6-12)15-7-4-8-16-11/h6H,2-5,7-8H2,1H3
InChIKey IHANAJWOUAVVSC-UHFFFAOYSA-N
Molecular Weight 260.366 g/mol
SMILES C(=O)(OC1=C(SCCCS1)CCCC=O)C
SPLASH splash10-02tc-7940000000-81fd325fca94006af005
Synonyms Acetic acid [3-(4-oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] ester [3-(4-oxobutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] acetate [3-(4-oxidanylidenebutyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl] ethanoate
Wiley ID 1482893