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Benzamide, 4-(trifluoromethyl)-N-propyl-

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Benzamide, 4-(trifluoromethyl)-N-propyl-
SpectraBase Compound ID A8IoOXnhiCJ
InChI InChI=1S/C11H12F3NO/c1-2-7-15-10(16)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKey SLODDXKEKAZOIL-UHFFFAOYSA-N
Mol Weight 231.22 g/mol
Molecular Formula C11H12F3NO
Exact Mass 231.087098 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2cnoM9w4Wla
Name Benzamide, 4-(trifluoromethyl)-N-propyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.087098498 u
Formula C11H12F3NO
InChI InChI=1S/C11H12F3NO/c1-2-7-15-10(16)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKey SLODDXKEKAZOIL-UHFFFAOYSA-N
Molecular Weight 231.218 g/mol
SMILES C(NCCC)(=O)C=1C=CC(=CC1)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890794