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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 4DTCCiHaRVu
Name o-Cresol, 4-bromo-
CAS Registry Number 2362-12-1
Classification Ortho cresols
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 185.968027844 u
Formula C7H7BrO
InChI InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey IWJGMJHAIUBWKT-UHFFFAOYSA-N
Molecular Weight 187.036 g/mol
Number of Peaks 10
SMILES Oc1c(cc(cc1)Br)C
SPLASH splash10-000i-2900000000-27c8479a143e7f36e8f2
Source of Spectrum FF-27-310-310_6 (DOI: 10.1002/ffj.3101)
Synonyms 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
Wiley ID 1775580