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3,5-Dinitroanisole

View entire compound with spectra: 5 NMR, 2 FTIR, and 2 MS (GC)

3,5-Dinitroanisole
SpectraBase Compound ID 3boUEgdOUPE
InChI InChI=1S/C7H6N2O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3
InChIKey OTMLGCBMOMNGCV-UHFFFAOYSA-N
Mol Weight 198.13 g/mol
Molecular Formula C7H6N2O5
Exact Mass 198.027671 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lw0voCcvsRE
Name 3,5-Dinitroanisole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 414867
CAS Registry Number 5327-44-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O5
InChI InChI=1S/C7H6N2O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3
InChIKey OTMLGCBMOMNGCV-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-methoxy-3,5-dinitro-benzene DTXSID1063778
Wiley ID SIAL_13CNMR_009174