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Creatinine, N,N'-di(heptafluorobutyryl)-

View entire compound with spectra: 1 FTIR

Creatinine, N,N'-di(heptafluorobutyryl)-
SpectraBase Compound ID B0h84BazqRq
InChI InChI=1S/C12H5F14N3O3/c1-28-2-3(30)29(5(32)8(15,16)10(19,20)12(24,25)26)6(28)27-4(31)7(13,14)9(17,18)11(21,22)23/h2H2,1H3/b27-6+
InChIKey BLGWIZSZDSJYCV-ASFRMHBNSA-N
Mol Weight 505.17 g/mol
Molecular Formula C12H5F14N3O3
Exact Mass 505.010735 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I4q1cuHaH7z
Name Creatinine, N,N'-di(heptafluorobutyryl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.010735312 u
Formula C12H5F14N3O3
InChI InChI=1S/C12H5F14N3O3/c1-28-2-3(30)29(5(32)8(15,16)10(19,20)12(24,25)26)6(28)27-4(31)7(13,14)9(17,18)11(21,22)23/h2H2,1H3/b27-6+
InChIKey BLGWIZSZDSJYCV-ASFRMHBNSA-N
Molecular Weight 505.168 g/mol
SMILES C1N(\C(=N/C(C(C(C(F)(F)F)(F)F)(F)F)=O)N(C1=O)C(C(C(C(F)(F)F)(F)F)(F)F)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874246