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3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propionitrile

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 Raman

3-(2-Methyl-4-nitro-1H-imidazol-1-yl)propionitrile
SpectraBase Compound ID J0B4q36Zoqt
InChI InChI=1S/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H3
InChIKey DXHSGLFIHQQUIN-UHFFFAOYSA-N
Mol Weight 180.17 g/mol
Molecular Formula C7H8N4O2
Exact Mass 180.064726 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ltk0Ur5OcR3
Name 2-Methyl-4-nitro-1-imidazolepropionitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 377694
CAS Registry Number 89128-08-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N4O2
InChI InChI=1S/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H3
InChIKey DXHSGLFIHQQUIN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008188