| SpectraBase Spectrum ID |
CErvb0wMoD5 |
| Name |
2,2,3,3,4,4,4-Heptafluoro-1-(4-(3-methoxy-2-methylbenzyl)piperazin-1-yl)butan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.133474999 u |
| Formula |
C17H19F7N2O2 |
| InChI |
InChI=1S/C17H19F7N2O2/c1-11-12(4-3-5-13(11)28-2)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 |
XIVJSVUEHYWCIN-UHFFFAOYSA-N |
| Molecular Weight |
416.340 g/mol |
| SMILES |
C1(=CC=CC(=C1C)CN1CCN(CC1)C(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815991 |
