| SpectraBase Spectrum ID |
B2ipEjV6CFE |
| Name |
1-(1,3-Dithian-2-yl)-3-octanol |
| Alternate Name(s) |
1,3-Dithiane-2-propanol, .alpha.-pentyl-, (R)-
1-(1,3-dithian-2-yl)octan-3-ol |
| 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 |
| Wiley ID |
1486614 |
