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4-Bromo-o-cresol

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

4-Bromo-o-cresol
SpectraBase Compound ID DZkJ86lf16C
InChI InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey IWJGMJHAIUBWKT-UHFFFAOYSA-N
Mol Weight 187.04 g/mol
Molecular Formula C7H7BrO
Exact Mass 185.968028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAt1tX0T4gI
Name o-Cresol, 4-bromo-
Alternate Name(s) Phenol, 4-bromo-2-methyl- 4-Bromanyl-2-methyl-phenol 4-Bromo-2-methylphenol 4-Bromo-2-methyl-phenol 4-Bromo-o-cresol BRN 2041491
CAS Registry Number 2362-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7BrO
InChI InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey IWJGMJHAIUBWKT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.3101
Molecular Weight 187.036 g/mol
SMILES Oc1c(cc(cc1)Br)C
SPLASH splash10-000i-2900000000-27c8479a143e7f36e8f2
Source of Spectrum FF-27-310-310_6
Wiley ID 1775580