| SpectraBase Spectrum ID |
HvKOG10ffv0 |
| Name |
3-Acetyl-1-[[anilino(oxo)methyl]amino]-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-4-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.135505240 u |
| Formula |
C18H20F3N3O5 |
| InChI |
InChI=1S/C18H20F3N3O5/c1-4-29-15(26)13-10(2)24(17(28,18(19,20)21)14(13)11(3)25)23-16(27)22-12-8-6-5-7-9-12/h5-9,14,28H,4H2,1-3H3,(H2,22,23,27) |
| InChIKey |
JXUYJHILHFWBAE-UHFFFAOYSA-N |
| Molecular Weight |
415.369 g/mol |
| SMILES |
C1(N(C(C)=C(C1C(=O)C)C(=O)OCC)NC(NC=1C=CC=CC1)=O)(C(F)(F)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853857 |
![3-Acetyl-1-[[anilino(oxo)methyl]amino]-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-4-carboxylic acid ethyl ester](/api/spectrum/HvKOG10ffv0/structure.png?h=300&w=458 "3-Acetyl-1-[[anilino(oxo)methyl]amino]-2-hydroxy-5-methyl-2-(trifluoromethyl)-3H-pyrrole-4-carboxylic acid ethyl ester")
