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N-Ethyl-N-[2-methoxy-5-nitrobenzyl]trifluoroacetamide

View entire compound with spectra: 1 FTIR

N-Ethyl-N-[2-methoxy-5-nitrobenzyl]trifluoroacetamide
SpectraBase Compound ID Aex6TbuWMac
InChI InChI=1S/C12H13F3N2O4/c1-3-16(11(18)12(13,14)15)7-8-6-9(17(19)20)4-5-10(8)21-2/h4-6H,3,7H2,1-2H3
InChIKey DNGZCUQHLUAJME-UHFFFAOYSA-N
Mol Weight 306.24 g/mol
Molecular Formula C12H13F3N2O4
Exact Mass 306.082741 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KUqdySmcWlm
Name N-Ethyl-N-[2-methoxy-5-nitrobenzyl]trifluoroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.082741392 u
Formula C12H13F3N2O4
InChI InChI=1S/C12H13F3N2O4/c1-3-16(11(18)12(13,14)15)7-8-6-9(17(19)20)4-5-10(8)21-2/h4-6H,3,7H2,1-2H3
InChIKey DNGZCUQHLUAJME-UHFFFAOYSA-N
Molecular Weight 306.241 g/mol
SMILES C1=C(C=C(C(=C1)OC)CN(C(C(F)(F)F)=O)CC)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843089