| SpectraBase Spectrum ID |
GGEcczE4DBk |
| Name |
2-(Pentafluorophenyl)-2-propyl p-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.052998617 u |
| Formula |
C16H10F5NO4 |
| InChI |
InChI=1S/C16H10F5NO4/c1-16(2,9-10(17)12(19)14(21)13(20)11(9)18)26-15(23)7-3-5-8(6-4-7)22(24)25/h3-6H,1-2H3 |
| InChIKey |
FNJLIVXLNZOVNC-UHFFFAOYSA-N |
| Molecular Weight |
375.251 g/mol |
| SMILES |
C=1(C(=C(F)C(=C(C1F)F)F)F)C(OC(C1=CC=C(N(=O)=O)C=C1)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913302 |
