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

*Links on SpectraBase are not permalinks.

(3SR,1'RS)-3-HYDROXY-3-(1-HYDROXYPHENYLMETHYL)-THIOOXEPANE

View entire compound with spectra: 1 NMR

(3SR,1'RS)-3-HYDROXY-3-(1-HYDROXYPHENYLMETHYL)-THIOOXEPANE
SpectraBase Compound ID 6ZwcyTiwqyS
InChI InChI=1S/C13H18O2S/c14-12(11-6-2-1-3-7-11)13(15)8-4-5-9-16-10-13/h1-3,6-7,12,14-15H,4-5,8-10H2/t12-,13+/m1/s1
InChIKey QQYOGGJPJINZHZ-OLZOCXBDSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2NhNKKv24RH
Name (3SR,1'RS)-3-HYDROXY-3-(1-HYDROXYPHENYLMETHYL)-THIOOXEPANE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c14-12(11-6-2-1-3-7-11)13(15)8-4-5-9-16-10-13/h1-3,6-7,12,14-15H,4-5,8-10H2/t12-,13+/m1/s1
InChIKey QQYOGGJPJINZHZ-OLZOCXBDSA-N
Literature Reference Author T.BACH,K.KATHER,O.KRAEMER
Literature Reference Citation J.ORG.CHEM.,63,1910(1998)
Literature Reference DOI 10.1021/jo971866z
Molecular Weight 238.345 g/mol
Sample ID 28046
Solvent CDCl3