| SpectraBase Spectrum ID |
3SchQA17Vsn |
| Name |
3-Hydroxydiphenylamine, N,o-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
577.035887433 u |
| Formula |
C20H9F14NO3 |
| InChI |
InChI=1S/C20H9F14NO3/c21-15(22,17(25,26)19(29,30)31)13(36)35(10-5-2-1-3-6-10)11-7-4-8-12(9-11)38-14(37)16(23,24)18(27,28)20(32,33)34/h1-9H |
| InChIKey |
PHGKRDOJBQKBME-UHFFFAOYSA-N |
| Molecular Weight |
577.274 g/mol |
| SMILES |
C1=CC=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)N(C1=CC=CC=C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840011 |
