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Methyl 2-methyl-3-nitrobenzoate

View entire compound with spectra: 2 NMR, 1 FTIR, and 6 MS (GC)

Methyl 2-methyl-3-nitrobenzoate
SpectraBase Compound ID EDNBTnrwejP
InChI InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
InChIKey CRZGFIMLHZTLGT-UHFFFAOYSA-N
Mol Weight 195.17 g/mol
Molecular Formula C9H9NO4
Exact Mass 195.053158 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bx2zG3AroBZ
Name Methyl 2-methyl-3-nitrobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 366765
CAS Registry Number 59382-59-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4
InChI InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
InChIKey CRZGFIMLHZTLGT-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Methyl 3-nitro-o-toluate
Wiley ID SIAL_1HNMR_007697