| SpectraBase Spectrum ID |
BZMxK0OxXvI |
| Name |
Propanedioic acid, (2-fluoro-1,1,3-trimethyl-2-butenyl)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.158037380 u |
| Formula |
C14H23FO4 |
| InChI |
InChI=1S/C14H23FO4/c1-7-18-12(16)10(13(17)19-8-2)14(5,6)11(15)9(3)4/h10H,7-8H2,1-6H3 |
| InChIKey |
BGZSYPNGJALDDS-UHFFFAOYSA-N |
| Molecular Weight |
274.332 g/mol |
| SMILES |
C(C(C(=O)OCC)C(=O)OCC)(C(=C(C)C)F)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976872 |
