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6-bromo-4-isopropyl-m-cresol, benzoate

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6-bromo-4-isopropyl-m-cresol, benzoate
SpectraBase Compound ID 3805zU1WMi8
InChI InChI=1S/C17H17BrO2/c1-11(2)14-10-15(18)16(9-12(14)3)20-17(19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKey XXAVBOHGBSWJQP-UHFFFAOYSA-N
Mol Weight 333.23 g/mol
Molecular Formula C17H17BrO2
Exact Mass 332.041193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1kaPfDqNbEO
Name 6-BROMO-4-ISOPROPYL-m-CRESOL, BENZOATE
Source of Sample R. Martin, Antony, France
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO2
InChI InChI=1S/C17H17BrO2/c1-11(2)14-10-15(18)16(9-12(14)3)20-17(19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKey XXAVBOHGBSWJQP-UHFFFAOYSA-N
Melting Point 69C
Molecular Weight 333.23
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms m-CRESOL, 6-BROMO-4-ISOPROPYL-, BENZOATE