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1,5,9,13-Tetrathiacyclohexadecane-3,11-diol, mixture of cis and trans
SpectraBase Compound ID DsKG76RaxO8
InChI InChI=1S/C12H24O2S4/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11/h11-14H,1-10H2
InChIKey UKLHHIPXESCOQU-UHFFFAOYSA-N
Mol Weight 328.6 g/mol
Molecular Formula C12H24O2S4
Exact Mass 328.065915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETMBn9YUAHS
Name 1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CAS Registry Number 109909-33-3
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2S4
InChI InChI=1S/C12H24O2S4/c13-11-7-15-3-1-4-16-8-12(14)10-18-6-2-5-17-9-11/h11-14H,1-10H2
InChIKey UKLHHIPXESCOQU-UHFFFAOYSA-N
Molecular Weight 328.562 g/mol
SMILES OC1CSCCCSCC(CSCCCSC1)O
SPLASH splash10-001r-9000000000-9ca5c3f98293e79bd7f5
Source of Spectrum K-127-2039-17
Wiley ID 1325881