| SpectraBase Spectrum ID |
LLpsoyd6dJg |
| Name |
Ethyl 2-[(4-butoxyphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.171556397 u |
| Formula |
C18H25F3N2O5 |
| InChI |
InChI=1S/C18H25F3N2O5/c1-4-7-12-28-14-10-8-13(9-11-14)22-17(18(19,20)21,15(24)26-5-2)23-16(25)27-6-3/h8-11,22H,4-7,12H2,1-3H3,(H,23,25) |
| InChIKey |
OXCJHZSVBVBSEJ-UHFFFAOYSA-N |
| Molecular Weight |
406.402 g/mol |
| SMILES |
C(=O)(OCC)NC(C(OCC)=O)(C(F)(F)F)NC=1C=CC(=CC1)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952265 |
![Ethyl 2-[(4-butoxyphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate](/api/spectrum/LLpsoyd6dJg/structure.png?h=300&w=458 "Ethyl 2-[(4-butoxyphenyl)amino]-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoropropanoate")
