| SpectraBase Spectrum ID |
3KfAEu2knx0 |
| Name |
Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-13(2,3)10-5-7-11(8-6-10)16-9-12(14)15-4/h5-8H,9H2,1-4H3 |
| InChIKey |
OWLZIJMSCPKFJJ-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(C)(C)C)OCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977276 |
![Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester](/api/spectrum/3KfAEu2knx0/structure.png?h=300&w=458 "Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester")
