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6-(3-keto-1,4-dithiepan-2-yl)hexanal

View entire compound with spectra: 3 MS (GC)

6-(3-keto-1,4-dithiepan-2-yl)hexanal
SpectraBase Compound ID EEeXR1v7OCx
InChI InChI=1S/C11H18O2S2/c12-7-4-2-1-3-6-10-11(13)15-9-5-8-14-10/h7,10H,1-6,8-9H2
InChIKey ARRADPOVRHZDIB-UHFFFAOYSA-N
Mol Weight 246.38 g/mol
Molecular Formula C11H18O2S2
Exact Mass 246.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5etSIH0PbuX
Name 6-(3-keto-1,4-dithiepan-2-yl)hexanal
CAS Registry Number 70068-04-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2S2
InChI InChI=1S/C11H18O2S2/c12-7-4-2-1-3-6-10-11(13)15-9-5-8-14-10/h7,10H,1-6,8-9H2
InChIKey ARRADPOVRHZDIB-UHFFFAOYSA-N
Molecular Weight 246.383 g/mol
SMILES C1(SCCCSC1CCCCCC=O)=O
SPLASH splash10-066r-8910000000-760be9e7e09b2472716a
Synonyms 6-(3-oxidanylidene-1,4-dithiepan-2-yl)hexanal
Wiley ID 1482981