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1,3-Dithiane-2-hexanal, .alpha.-hydroxy-.gamma.-oxo-, (R)-
SpectraBase Compound ID JNFF1zQmAE
InChI InChI=1S/C10H16O3S2/c11-7-9(13)6-8(12)2-3-10-14-4-1-5-15-10/h7,9-10,13H,1-6H2/t9-/m1/s1
InChIKey KNMYMMUYABXUII-SECBINFHSA-N
Mol Weight 248.35 g/mol
Molecular Formula C10H16O3S2
Exact Mass 248.054087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39aPD7eMc4B
Name 1,3-Dithiane-2-hexanal, .alpha.-hydroxy-.gamma.-oxo-, (R)-
CAS Registry Number 86949-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3S2
InChI InChI=1S/C10H16O3S2/c11-7-9(13)6-8(12)2-3-10-14-4-1-5-15-10/h7,9-10,13H,1-6H2/t9-/m1/s1
InChIKey KNMYMMUYABXUII-SECBINFHSA-N
Molecular Weight 248.355 g/mol
SMILES O[C@@](C=O)(CC(CCC1SCCCS1)=O)[H]
SPLASH splash10-001i-0920000000-5118411a8b06de770f84
Source of Spectrum KC-1990-2868-9
Synonyms (2R)-6-(1,3-dithian-2-yl)-2-hydroxy-4-oxohexanal (R)-6-(1',3'-dithian-2'-yl)-2-hydroxy-4-oxo hexanal
Wiley ID 1250507