| SpectraBase Spectrum ID |
62zec4boTl1 |
| Name |
Carbonic acid, 3-fluorophenyl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.100522503 u |
| Formula |
C12H15FO3 |
| InChI |
InChI=1S/C12H15FO3/c1-12(2,3)8-15-11(14)16-10-6-4-5-9(13)7-10/h4-7H,8H2,1-3H3 |
| InChIKey |
ZSRSQUPPXNRFGE-UHFFFAOYSA-N |
| Molecular Weight |
226.247 g/mol |
| SMILES |
C1=CC=C(C=C1F)OC(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863674 |
