| SpectraBase Spectrum ID |
Igs30JGM8XQ |
| Name |
Succinic acid, isobutyl 2-(trifluoromethyl)benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.123543577 u |
| Formula |
C16H19F3O4 |
| InChI |
InChI=1S/C16H19F3O4/c1-11(2)9-22-14(20)7-8-15(21)23-10-12-5-3-4-6-13(12)16(17,18)19/h3-6,11H,7-10H2,1-2H3 |
| InChIKey |
JGCUCVAGRSZHCG-UHFFFAOYSA-N |
| Molecular Weight |
332.319 g/mol |
| SMILES |
C(CCC(OCC1=CC=CC=C1C(F)(F)F)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820883 |
