| SpectraBase Spectrum ID |
8eLTEWLunPc |
| Name |
2-[Methoxy-[(4-methoxyphenyl)-methyl-amino]methylene]malonic acid bis(2,2,2-trifluoroethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.096006243 u |
| Formula |
C17H17F6NO6 |
| InChI |
InChI=1S/C17H17F6NO6/c1-24(10-4-6-11(27-2)7-5-10)13(28-3)12(14(25)29-8-16(18,19)20)15(26)30-9-17(21,22)23/h4-7H,8-9H2,1-3H3 |
| InChIKey |
ZTFGSZQOSAIIFN-UHFFFAOYSA-N |
| Molecular Weight |
445.314 g/mol |
| SMILES |
C(=O)(OCC(F)(F)F)C(C(=O)OCC(F)(F)F)=C(OC)N(C)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804911 |
![2-[Methoxy-[(4-methoxyphenyl)-methyl-amino]methylene]malonic acid bis(2,2,2-trifluoroethyl) ester](/api/spectrum/8eLTEWLunPc/structure.png?h=300&w=458 "2-[Methoxy-[(4-methoxyphenyl)-methyl-amino]methylene]malonic acid bis(2,2,2-trifluoroethyl) ester")
