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(cis)-4,6-Dimethyl-2-(.alpha.-hydroxybenzyl)-1,3-dithiane
SpectraBase Compound ID KROpU1EQfAo
InChI InChI=1S/C13H18OS2/c1-9-8-10(2)16-13(15-9)12(14)11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3/t9-,10+,12?,13?
InChIKey XTDHJHQLRJQVBX-ASZHBFLOSA-N
Mol Weight 254.41 g/mol
Molecular Formula C13H18OS2
Exact Mass 254.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWTQuCgNPgd
Name (cis)-4,6-Dimethyl-2-(.alpha.-hydroxybenzyl)-1,3-dithiane
Alternate Name(s) [(4R,6S)-4,6-dimethyl-1,3-dithian-2-yl](phenyl)methanol [(4S,6R)-4,6-dimethyl-1,3-dithian-2-yl]-phenylmethanol
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Formula C13H18OS2
InChI InChI=1S/C13H18OS2/c1-9-8-10(2)16-13(15-9)12(14)11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3/t9-,10+,12?,13?
InChIKey XTDHJHQLRJQVBX-ASZHBFLOSA-N
Molecular Weight 254.406 g/mol
SMILES OC(C1S[C@](C[C@](S1)(C)[H])(C)[H])c1ccccc1
SPLASH splash10-0002-4900000000-3cf579d67ea18687eb18
Source of Spectrum D1-2002-1450-12
Wiley ID 1548180