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8-[(8-oxidanyl-8-oxidanylidene-octyl)disulfanyl]octanoic acid
SpectraBase Compound ID K7Ik3JPjjIP
InChI InChI=1S/C16H30O4S2/c17-15(18)11-7-3-1-5-9-13-21-22-14-10-6-2-4-8-12-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey VMTVUDJOOMHKPO-UHFFFAOYSA-N
Mol Weight 350.53 g/mol
Molecular Formula C16H30O4S2
Exact Mass 350.158552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoTPt53belZ
Name 8-[(8-oxidanyl-8-oxidanylidene-octyl)disulfanyl]octanoic acid
CAS Registry Number 113288-23-6
Comments Note: The molecular formula of the structure shown is C16H30O4S2 - which differs from the formula reported for the mass spectrum (C16H28D2O4S2)
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Formula C16H28D2O4S2
InChI InChI=1S/C16H30O4S2/c17-15(18)11-7-3-1-5-9-13-21-22-14-10-6-2-4-8-12-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey VMTVUDJOOMHKPO-UHFFFAOYSA-N
Molecular Weight 350.532 g/mol
SMILES OC(CCCCCCCSSCCCCCCCC(=O)O)=O
SPLASH splash10-0a5c-9300000000-cdc68608ced7742b5c3b
Synonyms 8-(7-carboxyheptyldisulfanyl)octanoic acid
Wiley ID 1486109