| SpectraBase Spectrum ID |
JW7jH5JouNa |
| Name |
Succinic acid, naphth-2-ylmethyl 1-bromo-3,3,3-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.018406480 u |
| Formula |
C18H16BrF3O4 |
| InChI |
InChI=1S/C18H16BrF3O4/c19-10-15(18(20,21)22)26-17(24)8-7-16(23)25-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2 |
| InChIKey |
UZKUQCUGTQSKPW-UHFFFAOYSA-N |
| Molecular Weight |
433.221 g/mol |
| SMILES |
C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC(CBr)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844578 |
