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

*Links on SpectraBase are not permalinks.

2-[(2S,4R,5R)-5-(2-chloro-5-methoxy-phenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(2S,4R,5R)-5-(2-chloro-5-methoxy-phenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid methyl ester
SpectraBase Compound ID 5cSS0R1lah6
InChI InChI=1S/C14H17ClO5/c1-8-19-12(7-13(16)18-3)14(20-8)10-6-9(17-2)4-5-11(10)15/h4-6,8,12,14H,7H2,1-3H3/t8-,12+,14+/m0/s1
InChIKey QFOUGDFAFZOXHI-REAQECSSSA-N
Mol Weight 300.74 g/mol
Molecular Formula C14H17ClO5
Exact Mass 300.076451 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 GwSim2WbBXs
Name 2-[(2S,4R,5R)-5-(2-Chloro-5-methoxy-phenyl)-2-methyl-1,3-dioxolan-4-yl]acetic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.076451342 u
Formula C14H17ClO5
InChI InChI=1S/C14H17ClO5/c1-8-19-12(7-13(16)18-3)14(20-8)10-6-9(17-2)4-5-11(10)15/h4-6,8,12,14H,7H2,1-3H3/t8-,12+,14+/m0/s1
InChIKey QFOUGDFAFZOXHI-REAQECSSSA-N
Molecular Weight 300.738 g/mol
SMILES [C@]1(C=2C(=CC=C(C2)OC)Cl)([C@](O[C@@](O1)(C)[H])(CC(=O)OC)[H])[H]