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

*Links on SpectraBase are not permalinks.
2,2,5-TRIMETHYL-3-HYDROXY-4-(PHENYLTHIO)-HEXANOIC-ACID-METHYLESTER,ISOMER-#A
SpectraBase Compound ID 8R9YFDLzdBU
InChI InChI=1S/C16H24O3S/c1-5-9-13(20-12-10-7-6-8-11-12)14(17)16(2,3)15(18)19-4/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14+/m1/s1
InChIKey QJFGTSDHVDMTFQ-KGLIPLIRSA-N
Mol Weight 296.43 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 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 Te1VDDssiD
Name 2,2,5-TRIMETHYL-3-HYDROXY-4-(PHENYLTHIO)-HEXANOIC-ACID-METHYLESTER,ISOMER-#A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-5-9-13(20-12-10-7-6-8-11-12)14(17)16(2,3)15(18)19-4/h6-8,10-11,13-14,17H,5,9H2,1-4H3/t13-,14+/m1/s1
InChIKey QJFGTSDHVDMTFQ-KGLIPLIRSA-N
Literature Reference Author R.ANNUNZIATA,M.CINQUINI,F.COZZI,P.G.COZZI,E.CONSOLANDI
Literature Reference Citation J.ORG.CHEM.,57,456(1992)
Literature Reference DOI 10.1021/jo00028a015
Molecular Weight 296.425 g/mol
Solvent CDCl3
Source File Reference UWCS2079