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2-(2-nitroimidazol-1-yl)acetic acid methyl ester

View entire compound with spectra: 3 NMR

2-(2-nitroimidazol-1-yl)acetic acid methyl ester
SpectraBase Compound ID 3hAHG3MK6JX
InChI InChI=1S/C6H7N3O4/c1-13-5(10)4-8-3-2-7-6(8)9(11)12/h2-3H,4H2,1H3
InChIKey KXEHVMQCOHOQHB-UHFFFAOYSA-N
Mol Weight 185.14 g/mol
Molecular Formula C6H7N3O4
Exact Mass 185.043656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQqRX25vv7f
Name Methyl 2-nitro-1-imidazoleacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 408026
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3O4
InChI InChI=1S/C6H7N3O4/c1-13-5(10)4-8-3-2-7-6(8)9(11)12/h2-3H,4H2,1H3
InChIKey KXEHVMQCOHOQHB-UHFFFAOYSA-N
Molecular Weight 185.139 g/mol
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_014050