| SpectraBase Spectrum ID |
IsoVCpLO3xx |
| Name |
1-(4-(2,3-Dimethoxybenzyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.128389618 u |
| Formula |
C17H19F7N2O3 |
| InChI |
InChI=1S/C17H19F7N2O3/c1-28-12-5-3-4-11(13(12)29-2)10-25-6-8-26(9-7-25)14(27)15(18,19)16(20,21)17(22,23)24/h3-5H,6-10H2,1-2H3 |
| InChIKey |
XFRIEKMBEIFKLJ-UHFFFAOYSA-N |
| Molecular Weight |
432.339 g/mol |
| SMILES |
C(N1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C1=C(C(=CC=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829711 |
