| SpectraBase Spectrum ID |
ElYKkgC1QAY |
| Name |
1-(4-(Benzo[D][1,3]dioxol-4-ylmethyl)piperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.100283163 u |
| Formula |
C15H15F5N2O3 |
| InChI |
InChI=1S/C15H15F5N2O3/c16-14(17,15(18,19)20)13(23)22-6-4-21(5-7-22)8-10-2-1-3-11-12(10)25-9-24-11/h1-3H,4-9H2 |
| InChIKey |
LSIXRYRZJWCUNZ-UHFFFAOYSA-N |
| Molecular Weight |
366.288 g/mol |
| SMILES |
C(N1CCN(CC1)C(C(F)(F)C(F)(F)F)=O)C1=C2C(=CC=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822562 |
![1-(4-(Benzo[D][1,3]dioxol-4-ylmethyl)piperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one](/api/spectrum/ElYKkgC1QAY/structure.png?h=300&w=458 "1-(4-(Benzo[D][1,3]dioxol-4-ylmethyl)piperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one")
