| SpectraBase Spectrum ID |
FDvYfiVoeGu |
| Name |
25I-Nb4B tfa P1703 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.946685930 u |
| Formula |
C19H18BrF3INO3 |
| InChI |
InChI=1S/C19H18BrF3INO3/c1-27-16-10-15(24)17(28-2)9-13(16)7-8-25(18(26)19(21,22)23)11-12-3-5-14(20)6-4-12/h3-6,9-10H,7-8,11H2,1-2H3 |
| InChIKey |
QJJSQUAARJJQKD-UHFFFAOYSA-N |
| Molecular Weight |
572.161 g/mol |
| SMILES |
C1=C(I)C(=CC(=C1OC)CCN(CC1=CC=C(C=C1)Br)C(=O)C(F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837521 |
