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N-[3-(dimethylamino)propyl]-3-fluoranyl-benzamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-[3-(dimethylamino)propyl]-3-fluoranyl-benzamide
SpectraBase Compound ID DCYM5aWnUA7
InChI InChI=1S/C12H17FN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
InChIKey XUWRADNVDZOTMS-UHFFFAOYSA-N
Mol Weight 224.28 g/mol
Molecular Formula C12H17FN2O
Exact Mass 224.132491 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4NaKkzpARIx
Name N-[3-(Dimethylamino)propyl]-3-fluoranyl-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.132491337 u
Formula C12H17FN2O
InChI InChI=1S/C12H17FN2O/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16)
InChIKey XUWRADNVDZOTMS-UHFFFAOYSA-N
Molecular Weight 224.279 g/mol
SMILES C(C=1C=C(F)C=CC1)(=O)NCCCN(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842371