| SpectraBase Spectrum ID |
GG7GjXzPtxM |
| Name |
1-(4-(Benzo[D][1,3]dioxol-5-ylmethyl)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 |
416.097089489 u |
| Formula |
C16H15F7N2O3 |
| InChI |
InChI=1S/C16H15F7N2O3/c17-14(18,15(19,20)16(21,22)23)13(26)25-5-3-24(4-6-25)8-10-1-2-11-12(7-10)28-9-27-11/h1-2,7H,3-6,8-9H2 |
| InChIKey |
CEOUNYCXGKQTNL-UHFFFAOYSA-N |
| Molecular Weight |
416.296 g/mol |
| SMILES |
C12=C(C=CC(=C2)CN2CCN(CC2)C(=O)C(F)(F)C(F)(F)C(F)(F)F)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893716 |
![1-(4-(Benzo[D][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one](/api/spectrum/GG7GjXzPtxM/structure.png?h=300&w=458 "1-(4-(Benzo[D][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2,2,3,3,4,4,4-heptafluorobutan-1-one")
