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(R)-1-(Phenylsulfonyl)heptan-2-ol
SpectraBase Compound ID 7KEISTaUV1f
InChI InChI=1S/C13H20O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t12-/m1/s1
InChIKey NVNORMOEJVRONY-GFCCVEGCSA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcxU9pHBW2U
Name (R)-1-(Phenylsulfonyl)heptan-2-ol
Alternate Name(s) (2R)-1-(phenylsulfonyl)-2-heptanol (2R)-1-(benzenesulfonyl)-2-heptanol (2R)-1-(benzenesulfonyl)heptan-2-ol (2R)-1-(phenylsulfonyl)heptan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t12-/m1/s1
InChIKey NVNORMOEJVRONY-GFCCVEGCSA-N
Molecular Weight 256.360 g/mol
SMILES O[C@@](CS(=O)(=O)c1ccccc1)(CCCCC)[H]
SPLASH splash10-0007-0900000000-468fd303e60bccc30bc8
Source of Spectrum QC-10-1376-14
Wiley ID 871271