| SpectraBase Spectrum ID |
CnsjLfDdNf5 |
| Name |
Carbonic acid, isobutyl 3-methylphenyl 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/c1-9(2)8-14-12(13)15-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey |
RJUNRPBCLYEJKH-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
CC(COC(=O)OC1=CC(C)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905602 |
