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Tris(2-cyanoethyl)nitromethane

View entire compound with spectra: 4 NMR, and 1 FTIR

Tris(2-cyanoethyl)nitromethane
SpectraBase Compound ID B2ac7LxW05b
InChI InChI=1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2
InChIKey MUPJJZVGSOUSFH-UHFFFAOYSA-N
Mol Weight 220.23 g/mol
Molecular Formula C10H12N4O2
Exact Mass 220.096026 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HmetSZ7hJiW
Name Tris(2-cyanoethyl)nitromethane
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 357944
CAS Registry Number 1466-48-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N4O2
InChI InChI=1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2
InChIKey MUPJJZVGSOUSFH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-(2-Cyanoethyl)-4-nitropimelonitrile; 3,3',3''-(Nitromethylidyne)tripropionitrile; 4-(2-Cyanoethyl)-4-nitroheptanedinitrile; Nitro-tris(2-cyanoethyl)methane; Nitromethanetrispropionitrile
Wiley ID SIAL_13CNMR_007374