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

*Links on SpectraBase are not permalinks.

QCUMDAGWIYWCIG-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

QCUMDAGWIYWCIG-UHFFFAOYSA-N
SpectraBase Compound ID AZXaTfgtP0U
InChI InChI=1S/C13H16O3/c1-2-4-11(5-3-1)6-8-13-14-9-7-12(16-13)10-15-13/h1-5,12H,6-10H2
InChIKey QCUMDAGWIYWCIG-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 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 BQBDesFmomQ
Name 1,2,4-BUTANETRIOL-3-PHENYLORTHOPROPIONATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-4-11(5-3-1)6-8-13-14-9-7-12(16-13)10-15-13/h1-5,12H,6-10H2
InChIKey QCUMDAGWIYWCIG-UHFFFAOYSA-N
Literature Reference Author J.L.GINER,X.LI,J.J.MULLINS
Literature Reference Citation J.ORG.CHEM.,68,10079(2003)
Literature Reference DOI 10.1021/jo034566s
Molecular Weight 220.268 g/mol
Solvent CDCl3
Source File Reference UWLU27826