| SpectraBase Spectrum ID |
FmdZcreSFmL |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl 4-bromo-2-methoxyphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.997671035 u |
| Formula |
C14H14BrF3O5 |
| InChI |
InChI=1S/C14H14BrF3O5/c1-8(14(16,17)18)22-12(19)5-6-13(20)23-10-4-3-9(15)7-11(10)21-2/h3-4,7-8H,5-6H2,1-2H3 |
| InChIKey |
RCFPWYLMWCRPQU-UHFFFAOYSA-N |
| Molecular Weight |
399.160 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OC1=C(C=C(C=C1)Br)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944715 |
