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4-[(4-Methyl-1-piperazinyl)methyl]phenylamine, N-acetyl

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4-[(4-Methyl-1-piperazinyl)methyl]phenylamine, N-acetyl
SpectraBase Compound ID Gw9inTDdt8D
InChI InChI=1S/C14H21N3O/c1-12(18)15-14-5-3-13(4-6-14)11-17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKey CXTJKIKSCWIABI-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C14H21N3O
Exact Mass 247.168462 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IfMvmaSO8V6
Name 4-[(4-Methyl-1-piperazinyl)methyl]phenylamine, N-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.168462307 u
Formula C14H21N3O
InChI InChI=1S/C14H21N3O/c1-12(18)15-14-5-3-13(4-6-14)11-17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKey CXTJKIKSCWIABI-UHFFFAOYSA-N
Molecular Weight 247.342 g/mol
SMILES C1(NC(=O)C)=CC=C(C=C1)CN1CCN(CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915427