| SpectraBase Spectrum ID |
GzGf36GXpCQ |
| Name |
3-Methyl-4-nitrophenyl pentafluorobenzyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.042433934 u |
| Formula |
C14H8F5NO3 |
| InChI |
InChI=1S/C14H8F5NO3/c1-6-4-7(2-3-9(6)20(21)22)23-5-8-10(15)12(17)14(19)13(18)11(8)16/h2-4H,5H2,1H3 |
| InChIKey |
WDUOVUNTQFSXIO-UHFFFAOYSA-N |
| Molecular Weight |
333.214 g/mol |
| SMILES |
C1(OCC2=C(C(=C(C(=C2F)F)F)F)F)=CC(=C(C=C1)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804014 |
