| SpectraBase Spectrum ID |
1UZSzcVtCTX |
| Name |
1-(4-(2,5-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/c1-28-12-3-4-13(29-2)11(9-12)10-25-5-7-26(8-6-25)14(27)15(18,19)16(20,21)17(22,23)24/h3-4,9H,5-8,10H2,1-2H3 |
| InChIKey |
SBDVLPWYOFARGE-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) |
0.869201 |
