| SpectraBase Spectrum ID |
9XzAJ1ZM00f |
| Name |
1-(2-Fluorophenyl)-4-piperidinamine, N,N-bis(heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
586.073750110 u |
| Formula |
C19H13F15N2O2 |
| InChI |
InChI=1S/C19H13F15N2O2/c20-10-3-1-2-4-11(10)35-7-5-9(6-8-35)36(12(37)14(21,22)16(25,26)18(29,30)31)13(38)15(23,24)17(27,28)19(32,33)34/h1-4,9H,5-8H2 |
| InChIKey |
LAABTUJADMAUBP-UHFFFAOYSA-N |
| Molecular Weight |
586.301 g/mol |
| SMILES |
C1(F)=C(C=CC=C1)N1CCC(CC1)N(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891188 |
