| SpectraBase Spectrum ID |
GmBLrygoAYR |
| Name |
2-Amino-3-cyano-4-methyl-4,6-bis-trifluormethyl-cyclohexa-1,5-dien-1,3-dicarboxylic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.101425977 u |
| Formula |
C16H16F6N2O4 |
| InChI |
InChI=1S/C16H16F6N2O4/c1-4-27-11(25)9-8(15(17,18)19)6-13(3,16(20,21)22)14(7-23,10(9)24)12(26)28-5-2/h6H,4-5,24H2,1-3H3 |
| InChIKey |
MYOMIULVSBADMF-UHFFFAOYSA-N |
| Molecular Weight |
414.304 g/mol |
| SMILES |
C1(C(=C(C(=CC1(C(F)(F)F)C)C(F)(F)F)C(OCC)=O)N)(C#N)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959047 |
