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3-Bromo-4-methoxybenzonitrile

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

3-Bromo-4-methoxybenzonitrile
SpectraBase Compound ID qE11O4nmAh
InChI InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChIKey QHWZMDRKTYTPEE-UHFFFAOYSA-N
Mol Weight 212.05 g/mol
Molecular Formula C8H6BrNO
Exact Mass 210.963277 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7ydl2oClA3
Name 3-Bromo-4-methoxybenzonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 385492
CAS Registry Number 117572-79-9
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrNO
InChI 1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChIKey QHWZMDRKTYTPEE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008389