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1-(2-Aminoethyl)piperazine hex (amino)

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

1-(2-Aminoethyl)piperazine hex (amino)
SpectraBase Compound ID 45PxanPNhPk
InChI InChI=1S/C12H25N3O/c1-2-3-4-5-12(16)14-8-11-15-9-6-13-7-10-15/h13H,2-11H2,1H3,(H,14,16)
InChIKey PRCVGCMIMDHIFC-UHFFFAOYSA-N
Mol Weight 227.35 g/mol
Molecular Formula C12H25N3O
Exact Mass 227.199762 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F5EGoBe38AP
Name 1-(2-Aminoethyl)piperazine hex (amino)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.199762436 u
Formula C12H25N3O
InChI InChI=1S/C12H25N3O/c1-2-3-4-5-12(16)14-8-11-15-9-6-13-7-10-15/h13H,2-11H2,1H3,(H,14,16)
InChIKey PRCVGCMIMDHIFC-UHFFFAOYSA-N
Molecular Weight 227.352 g/mol
SMILES C(N1CCNCC1)CNC(CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919342