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

*Links on SpectraBase are not permalinks.
Benzeneacetic acid, .alpha.-hydroxy-, 2-methylpropyl ester
SpectraBase Compound ID GGEvqVFxFZO
InChI InChI=1S/C12H16O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChIKey UXPTXOYCOCXVQX-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 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 AB4d9AA0Tvi
Name Benzeneacetic acid, .alpha.-hydroxy-, 2-methylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-9(2)8-15-12(14)11(13)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChIKey UXPTXOYCOCXVQX-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C1=C(C=CC=C1)C(C(OCC(C)C)=O)O