| SpectraBase Spectrum ID |
I9j8vEJy9OP |
| Name |
Glutaric acid, 3-methylbut-2-yl 2-fluoroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.142387315 u |
| Formula |
C12H21FO4 |
| InChI |
InChI=1S/C12H21FO4/c1-9(2)10(3)17-12(15)6-4-5-11(14)16-8-7-13/h9-10H,4-8H2,1-3H3 |
| InChIKey |
HXPOGEMLMJBKNG-UHFFFAOYSA-N |
| Molecular Weight |
248.294 g/mol |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OCCF)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94009 |
