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Heptanal, 7-(1,3-dithian-2-ylidene)-
SpectraBase Compound ID E7tsrx8vVAU
InChI InChI=1S/C11H18OS2/c12-8-5-3-1-2-4-7-11-13-9-6-10-14-11/h7-8H,1-6,9-10H2
InChIKey JGENNFISQLKTMP-UHFFFAOYSA-N
Mol Weight 230.38 g/mol
Molecular Formula C11H18OS2
Exact Mass 230.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcfwbZPxbAx
Name Heptanal, 7-(1,3-dithian-2-ylidene)-
Alternate Name(s) 1,3-Dithiane, heptanal deriv. 7-(1,3-dithian-2-ylidene)heptanal 8,8-Trimethylenedithio-7-octenal
CAS Registry Number 70068-02-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18OS2
InChI InChI=1S/C11H18OS2/c12-8-5-3-1-2-4-7-11-13-9-6-10-14-11/h7-8H,1-6,9-10H2
InChIKey JGENNFISQLKTMP-UHFFFAOYSA-N
Molecular Weight 230.384 g/mol
SMILES C1(SCCCS1)=CCCCCCC=O
SPLASH splash10-0002-3910000000-22a1c529a9c128e48f72
Source of Spectrum H-61-3094-0
Wiley ID 1231428