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5-Fluoro-2-(4-methyl-1-piperazinyl)aniline, N-acetyl

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5-Fluoro-2-(4-methyl-1-piperazinyl)aniline, N-acetyl
SpectraBase Compound ID D196DqTv2kp
InChI InChI=1S/C13H18FN3O/c1-10(18)15-12-9-11(14)3-4-13(12)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKey FWAJRLZNZUZLJL-UHFFFAOYSA-N
Mol Weight 251.31 g/mol
Molecular Formula C13H18FN3O
Exact Mass 251.14339 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 44qINQPNLJW
Name 5-Fluoro-2-(4-methyl-1-piperazinyl)aniline, N-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.143390374 u
Formula C13H18FN3O
InChI InChI=1S/C13H18FN3O/c1-10(18)15-12-9-11(14)3-4-13(12)17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,15,18)
InChIKey FWAJRLZNZUZLJL-UHFFFAOYSA-N
Molecular Weight 251.305 g/mol
SMILES C1(NC(=O)C)=C(C=CC(=C1)F)N1CCN(CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851332