For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(1,3-Dithian-2-yl)-3-octanol

View entire compound with spectra: 3 MS (GC)

1-(1,3-Dithian-2-yl)-3-octanol
SpectraBase Compound ID Ei8EtNDQGIz
InChI InChI=1S/C12H24OS2/c1-2-3-4-6-11(13)7-8-12-14-9-5-10-15-12/h11-13H,2-10H2,1H3
InChIKey CDASCAOTHNWFSA-UHFFFAOYSA-N
Mol Weight 248.44 g/mol
Molecular Formula C12H24OS2
Exact Mass 248.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B2ipEjV6CFE
Name 1-(1,3-Dithian-2-yl)-3-octanol
CAS Registry Number 110242-92-7
Comments Note: The molecular formula of the structure shown is C12H24OS2 - which differs from the formula reported for the mass spectrum (C23H20N2NiO)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20N2NiO
InChI InChI=1S/C12H24OS2/c1-2-3-4-6-11(13)7-8-12-14-9-5-10-15-12/h11-13H,2-10H2,1H3
InChIKey CDASCAOTHNWFSA-UHFFFAOYSA-N
Molecular Weight 248.443 g/mol
SMILES OC(CCC1SCCCS1)CCCCC
SPLASH splash10-0002-2695100000-5d6325b6c763cf7e9ec6
Synonyms 1,3-Dithiane-2-propanol, .alpha.-pentyl-, (R)- 1-(1,3-dithian-2-yl)octan-3-ol
Wiley ID 1486614