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

*Links on SpectraBase are not permalinks.

Acetic acid, 2-[5-(benzyloxy-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methyl-ethyl ester

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

Acetic acid, 2-[5-(benzyloxy-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methyl-ethyl ester
SpectraBase Compound ID HSmoahHj3SM
InChI InChI=1S/C10H18O4.C8H10O/c1-7(13-8(2)11)5-9-6-12-10(3,4)14-9;1-9-7-8-5-3-2-4-6-8/h7,9H,5-6H2,1-4H3;2-6H,7H2,1H3
InChIKey IOADRDBLGKXJAM-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C18H28O5
Exact Mass 324.193674 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 JMf0wYnrW8M
Name Acetic acid, 2-[5-(benzyloxymethyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1-methylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.193673997 u
Formula C18H28O5
InChI InChI=1S/C10H18O4.C8H10O/c1-7(13-8(2)11)5-9-6-12-10(3,4)14-9;1-9-7-8-5-3-2-4-6-8/h7,9H,5-6H2,1-4H3;2-6H,7H2,1H3
InChIKey IOADRDBLGKXJAM-UHFFFAOYSA-N
Molecular Weight 324.417 g/mol
Nominal Mass 324 u
SMILES C1C(OC(O1)(C)C)CC(C)OC(=O)C.c1(COC)ccccc1