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4-Methyl-3-nitrobenzoyl chloride

View entire compound with spectra: 3 NMR, and 2 FTIR

4-Methyl-3-nitrobenzoyl chloride
SpectraBase Compound ID 3nw9PcWkNne
InChI InChI=1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3
InChIKey DXMHBBURYDVYAI-UHFFFAOYSA-N
Mol Weight 199.59 g/mol
Molecular Formula C8H6ClNO3
Exact Mass 199.003621 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BTGL8mTBV5d
Name 4-Methyl-3-nitrobenzoyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 428949
CAS Registry Number 10397-30-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO3
InChI InChI=1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3
InChIKey DXMHBBURYDVYAI-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Nitro-p-toluoyl chloride
Wiley ID SIAL_13CNMR_009493