| SpectraBase Spectrum ID |
7aLK6ROCudw |
| Name |
Fumaric acid, 4-chloro-2-methylphenyl 1,1,1-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.037621051 u |
| Formula |
C14H12ClF3O4 |
| InChI |
InChI=1S/C14H12ClF3O4/c1-8-7-10(15)3-4-11(8)22-13(20)6-5-12(19)21-9(2)14(16,17)18/h3-7,9H,1-2H3/b6-5+ |
| InChIKey |
OAVOYYLDXFRUCR-AATRIKPKSA-N |
| Molecular Weight |
336.694 g/mol |
| SMILES |
C(\C=C\C(OC(C)C(F)(F)F)=O)(OC=1C(C)=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895202 |
