[2-(3,4-Diethoxy-phenyl)-ethyl]-(2-nitro-4-trifluoromethyl-phenyl)-amine

SpectraBase Compound ID	3gWvfO99Jz8
InChI	InChI=1S/C19H21F3N2O4/c1-3-27-17-8-5-13(11-18(17)28-4-2)9-10-23-15-7-6-14(19(20,21)22)12-16(15)24(25)26/h5-8,11-12,23H,3-4,9-10H2,1-2H3
InChIKey	DGRUROUZRUVHHI-UHFFFAOYSA-N Google Search
Mol Weight	398.38 g/mol
Molecular Formula	C19H21F3N2O4
Exact Mass	398.145342 g/mol

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SpectraBase Spectrum ID	KHh2Up31Isa
Name	[2-(3,4-Diethoxy-phenyl)-ethyl]-(2-nitro-4-trifluoromethyl-phenyl)-amine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	398.145341649 u
Formula	C19H21F3N2O4
InChI	InChI=1S/C19H21F3N2O4/c1-3-27-17-8-5-13(11-18(17)28-4-2)9-10-23-15-7-6-14(19(20,21)22)12-16(15)24(25)26/h5-8,11-12,23H,3-4,9-10H2,1-2H3
InChIKey	DGRUROUZRUVHHI-UHFFFAOYSA-N
Molecular Weight	398.382 g/mol
SMILES	CCOC=1C(=CC(CCNC=2C(N(=O)=O)=CC(C(F)(F)F)=CC2)=CC1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.858754