| SpectraBase Spectrum ID |
JlglMPmC9iO |
| Name |
3-Benzamidocoumarin, N-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.049804943 u |
| Formula |
C20H10F7NO4 |
| InChI |
InChI=1S/C20H10F7NO4/c21-18(22,19(23,24)20(25,26)27)17(31)28(15(29)11-6-2-1-3-7-11)13-10-12-8-4-5-9-14(12)32-16(13)30/h1-10H |
| InChIKey |
JZBGBYITQPRKNN-UHFFFAOYSA-N |
| Molecular Weight |
461.292 g/mol |
| SMILES |
C1(=CC=CC=C1)C(=O)N(C=1C(OC=2C(C1)=CC=CC2)=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891876 |
