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7-[(R)-(tolylsulfinyl)]-1,6-heptanediol
SpectraBase Compound ID 4Xy3HwzJVGa
InChI InChI=1S/C14H22O3S/c1-12-6-8-14(9-7-12)18(17)11-13(16)5-3-2-4-10-15/h6-9,13,15-16H,2-5,10-11H2,1H3
InChIKey MSYFKMBIJUUWDG-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C14H22O3S
Exact Mass 270.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID P3xuJkP7Um
Name 7-[(R)-(tolylsulfinyl)]-1,6-heptanediol
Alternate Name(s) 7-[(4-methylphenyl)sulfinyl]-1,6-heptanediol
Comments Less than 3 mono-isotopic peaks
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Formula C14H22O3S
InChI InChI=1S/C14H22O3S/c1-12-6-8-14(9-7-12)18(17)11-13(16)5-3-2-4-10-15/h6-9,13,15-16H,2-5,10-11H2,1H3
InChIKey MSYFKMBIJUUWDG-UHFFFAOYSA-N
Molecular Weight 270.387 g/mol
SMILES OC(CCCCCO)C[S@](c1ccc(cc1)C)=O
SPLASH splash10-0006-0900000000-641cb09f125dc9b94dc0
Source of Spectrum F-56-7935-19
Wiley ID 858735