For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Carbamic acid, [3-(trifluoromethyl)benzoyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
SpectraBase Compound ID KjwwgpNXB2y
InChI InChI=1S/C15H13F3N4O5/c1-9-19-8-12(22(25)26)21(9)5-6-27-14(24)20-13(23)10-3-2-4-11(7-10)15(16,17)18/h2-4,7-8H,5-6H2,1H3,(H,20,23,24)
InChIKey HSMMCDLKHGLRRL-UHFFFAOYSA-N
Mol Weight 386.29 g/mol
Molecular Formula C15H13F3N4O5
Exact Mass 386.083804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BN8zlhvc1PD
Name Carbamic acid, [3-(trifluoromethyl)benzoyl]-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.083804019 u
Formula C15H13F3N4O5
InChI InChI=1S/C15H13F3N4O5/c1-9-19-8-12(22(25)26)21(9)5-6-27-14(24)20-13(23)10-3-2-4-11(7-10)15(16,17)18/h2-4,7-8H,5-6H2,1H3,(H,20,23,24)
InChIKey HSMMCDLKHGLRRL-UHFFFAOYSA-N
Molecular Weight 386.287 g/mol
SMILES C=1(N(C(C)=NC1)CCOC(NC(C1=CC(C(F)(F)F)=CC=C1)=O)=O)N(=O)=O