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1-[(2-Chlorophenoxy)acetyl]piperazine

View entire compound with spectra: 1 NMR, and 1 FTIR

1-[(2-Chlorophenoxy)acetyl]piperazine
SpectraBase Compound ID JSQX3nkoNEe
InChI InChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey BGRYCPZHNVWQHR-UHFFFAOYSA-N
Mol Weight 254.72 g/mol
Molecular Formula C12H15ClN2O2
Exact Mass 254.082205 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8e9VIiTAuip
Name 1-[(2-Chlorophenoxy)acetyl]piperazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.082205429 u
Formula C12H15ClN2O2
InChI InChI=1S/C12H15ClN2O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey BGRYCPZHNVWQHR-UHFFFAOYSA-N
Molecular Weight 254.717 g/mol
SMILES C(OC1=C(Cl)C=CC=C1)C(=O)N1CCNCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952914