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1,4-bis(Pyrrolidin-1'-yl)-but-2-yne-1,4-dione

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

1,4-bis(Pyrrolidin-1'-yl)-but-2-yne-1,4-dione
SpectraBase Compound ID 8tUIDoMa0G9
InChI InChI=1S/C12H16N2O2/c15-11(13-7-1-2-8-13)5-6-12(16)14-9-3-4-10-14/h1-4,7-10H2
InChIKey NKOGTLBBOKWHBP-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7RUpg0ytNIY
Name 1,4-bis(Pyrrolidin-1'-yl)-but-2-yne-1,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.121177761 u
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c15-11(13-7-1-2-8-13)5-6-12(16)14-9-3-4-10-14/h1-4,7-10H2
InChIKey NKOGTLBBOKWHBP-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES C(#CC(N1CCCC1)=O)C(N1CCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97329