| SpectraBase Spectrum ID |
A8L53zLIrEU |
| Name |
Bezenethanamine, N-trifluoroacetyl-3,4-dimethoxy-.alpha.-methoxycarbonyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.098057103 u |
| Formula |
C14H16F3NO5 |
| InChI |
InChI=1S/C14H16F3NO5/c1-21-10-5-4-8(7-11(10)22-2)6-9(12(19)23-3)18-13(20)14(15,16)17/h4-5,7,9H,6H2,1-3H3,(H,18,20) |
| InChIKey |
JJJNFUULTQOKRL-UHFFFAOYSA-N |
| Molecular Weight |
335.279 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC)OC)CC(NC(=O)C(F)(F)F)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860078 |
