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3-(4-(3-Oxopropanenitrile)piperazin-1-yl)-3-oxopropanenitrile

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

3-(4-(3-Oxopropanenitrile)piperazin-1-yl)-3-oxopropanenitrile
SpectraBase Compound ID D1kIqopwg5H
InChI InChI=1S/C10H12N4O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-2,5-8H2
InChIKey KBMOXEMJQQEOFF-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C10H12N4O2
Exact Mass 220.096026 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AcAvQ8fp8rO
Name 3-(4-(3-Oxopropanenitrile)piperazin-1-yl)-3-oxopropanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.096025640 u
Formula C10H12N4O2
InChI InChI=1S/C10H12N4O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-2,5-8H2
InChIKey KBMOXEMJQQEOFF-UHFFFAOYSA-N
Molecular Weight 220.232 g/mol
SMILES C(N1CCN(CC1)C(CC#N)=O)(CC#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.824269