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5H-1,4-Dithiepin-2-hexanal, 3-(acetyloxy)-6,7-dihydro-
SpectraBase Compound ID FRzxPC1CSno
InChI InChI=1S/C13H20O3S2/c1-11(15)16-13-12(17-9-6-10-18-13)7-4-2-3-5-8-14/h8H,2-7,9-10H2,1H3
InChIKey OEKAIRSFJAHQTN-UHFFFAOYSA-N
Mol Weight 288.42 g/mol
Molecular Formula C13H20O3S2
Exact Mass 288.085387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GorIoc3oz9k
Name 5H-1,4-Dithiepin-2-hexanal, 3-(acetyloxy)-6,7-dihydro-
CAS Registry Number 70068-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3S2
InChI InChI=1S/C13H20O3S2/c1-11(15)16-13-12(17-9-6-10-18-13)7-4-2-3-5-8-14/h8H,2-7,9-10H2,1H3
InChIKey OEKAIRSFJAHQTN-UHFFFAOYSA-N
Molecular Weight 288.420 g/mol
SMILES C1(OC(=O)C)=C(SCCCS1)CCCCCC=O
SPLASH splash10-0292-0960000000-c1c36228b189293e478c
Source of Spectrum H-61-3094-0
Synonyms 3-(6-oxohexyl)-6,7-dihydro-5H-1,4-dithiepin-2-yl acetate 8-Acetoxy-7,8-trimethylenedithiooctanal
Wiley ID 1291407