[2-(4-Phenylpiperazin-1-yl)-5-trifluoromethylphenyl]carbamic acid methyl ester

SpectraBase Compound ID	GcTSoccL90f
InChI	InChI=1S/C19H20F3N3O2/c1-27-18(26)23-16-13-14(19(20,21)22)7-8-17(16)25-11-9-24(10-12-25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKey	SMXZUFJBPSHPDW-UHFFFAOYSA-N Google Search
Mol Weight	379.38 g/mol
Molecular Formula	C19H20F3N3O2
Exact Mass	379.150761 g/mol

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SpectraBase Spectrum ID	J6oECi5uxsR
Name	[2-(4-Phenylpiperazin-1-yl)-5-trifluoromethylphenyl]carbamic acid methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	379.150761383 u
Formula	C19H20F3N3O2
InChI	InChI=1S/C19H20F3N3O2/c1-27-18(26)23-16-13-14(19(20,21)22)7-8-17(16)25-11-9-24(10-12-25)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,23,26)
InChIKey	SMXZUFJBPSHPDW-UHFFFAOYSA-N
Molecular Weight	379.383 g/mol
SMILES	C1=CC(=CC(=C1N1CCN(C2=CC=CC=C2)CC1)NC(OC)=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR)	0.801528