| SpectraBase Spectrum ID |
KUwSkbqOMK2 |
| Name |
7-bis(Pentafluoropropionyl)amino-4-methylcoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.021539335 u |
| Formula |
C16H7F10NO4 |
| InChI |
InChI=1S/C16H7F10NO4/c1-6-4-10(28)31-9-5-7(2-3-8(6)9)27(11(29)13(17,18)15(21,22)23)12(30)14(19,20)16(24,25)26/h2-5H,1H3 |
| InChIKey |
ZAPAHXCJZIEPBN-UHFFFAOYSA-N |
| Molecular Weight |
467.219 g/mol |
| SMILES |
C1(=CC=C2C(=C1)OC(=O)C=C2C)N(C(C(C(F)(F)F)(F)F)=O)C(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885773 |
