| SpectraBase Spectrum ID |
IVX62p8uvB5 |
| Name |
Benzamide, N-[1-(2,2-bis-trifluoromethyl-[1,3]dioxolan-4-ylmethoxy)-2,2,2-trifluoro-1-trifluoromethylethyl]-4-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.060210474 u |
| Formula |
C17H13F12NO5 |
| InChI |
InChI=1S/C17H13F12NO5/c1-32-9-4-2-8(3-5-9)11(31)30-12(14(18,19)20,15(21,22)23)33-6-10-7-34-13(35-10,16(24,25)26)17(27,28)29/h2-5,10H,6-7H2,1H3,(H,30,31) |
| InChIKey |
ZNAZGWDOTBTUQT-UHFFFAOYSA-N |
| Molecular Weight |
539.274 g/mol |
| SMILES |
C1(C(F)(F)F)(C(F)(F)F)OCC(O1)COC(NC(=O)C=1C=CC(OC)=CC1)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821753 |
![Benzamide, N-[1-(2,2-bis-trifluoromethyl-[1,3]dioxolan-4-ylmethoxy)-2,2,2-trifluoro-1-trifluoromethylethyl]-4-methoxy-](/api/spectrum/IVX62p8uvB5/structure.png?h=300&w=458 "Benzamide, N-[1-(2,2-bis-trifluoromethyl-[1,3]dioxolan-4-ylmethoxy)-2,2,2-trifluoro-1-trifluoromethylethyl]-4-methoxy-")
