| SpectraBase Spectrum ID |
DuurGHzSpco |
| Name |
Carbonic acid, isobutyl 3,5-difluophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.075450569 u |
| Formula |
C11H12F2O3 |
| InChI |
InChI=1S/C11H12F2O3/c1-7(2)6-15-11(14)16-10-4-8(12)3-9(13)5-10/h3-5,7H,6H2,1-2H3 |
| InChIKey |
ZMJNKEALKFWQLQ-UHFFFAOYSA-N |
| Molecular Weight |
230.211 g/mol |
| SMILES |
CC(COC(=O)OC1=CC(=CC(=C1)F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813162 |
