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alpha-Bromo-m-nitrotoluene

View entire compound with spectra: 4 NMR, 3 FTIR, 1 Raman, and 2 MS (GC)

alpha-Bromo-m-nitrotoluene
SpectraBase Compound ID 9xeOCXjekq9
InChI InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChIKey LNWXALCHPJANMJ-UHFFFAOYSA-N
Mol Weight 216.03 g/mol
Molecular Formula C7H6BrNO2
Exact Mass 214.958191 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7hkUvU8h28
Name 3-Nitrobenzyl bromide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 222518
CAS Registry Number 3958-57-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6BrNO2
InChI 1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChIKey LNWXALCHPJANMJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha-Bromo-m-nitrotoluene
Wiley ID SIAL_13CNMR_003309