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3,4-Dinitrobenzyl alcohol

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3,4-Dinitrobenzyl alcohol
SpectraBase Compound ID 6jOjJmZ98Md
InChI InChI=1S/C7H6N2O5/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2
InChIKey GALBVKDHQBDIJR-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 KTj5maDyJfS
Name 3,4-Dinitrobenzyl alcohol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 197726
CAS Registry Number 79544-31-3
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/c10-4-5-1-2-6(8(11)12)7(3-5)9(13)14/h1-3,10H,4H2
InChIKey GALBVKDHQBDIJR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_002854