| SpectraBase Spectrum ID |
8zpbCXOQc5f |
| Name |
Carbonic acid, 3,4-dimethylphenyl propyl 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/c1-4-7-14-12(13)15-11-6-5-9(2)10(3)8-11/h5-6,8H,4,7H2,1-3H3 |
| InChIKey |
HOAIHJNMBWPLSL-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C(OCCC)(=O)OC=1C=C(C(C)=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933892 |
