| SpectraBase Spectrum ID |
1prSoXZYzBn |
| Name |
Benzoic acid, 3-methoxy-, 1,1-dimethylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-12(2,3)15-11(13)9-6-5-7-10(8-9)14-4/h5-8H,1-4H3 |
| InChIKey |
ZPLFHXUDJLEUOT-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C(OC(C)(C)C)(C=1C=C(OC)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911095 |
