| SpectraBase Spectrum ID |
KyU6rqbIx85 |
| Name |
4-Carbethoxybutyric acid, 3,4-dimethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.079627905 u |
| Formula |
C15H14F6O4 |
| InChI |
InChI=1S/C15H14F6O4/c1-4-24-11(22)13(16,17)15(20,21)14(18,19)12(23)25-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey |
HJVUIYPFIXOEMZ-UHFFFAOYSA-N |
| Molecular Weight |
372.263 g/mol |
| SMILES |
C1=CC(OC(=O)C(F)(F)C(F)(C(C(=O)OCC)(F)F)F)=CC(=C1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882496 |
