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4-Bromobenzoic acid, 2-methylbutyl ester
SpectraBase Compound ID L3C9nJJ8Bkl
InChI InChI=1S/C12H15BrO2/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKey BIQDEPCHVKIHTG-UHFFFAOYSA-N
Mol Weight 271.15 g/mol
Molecular Formula C12H15BrO2
Exact Mass 270.025543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BP8KnG2LQR7
Name 4-Bromobenzoic acid, 2-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.025542721 u
Formula C12H15BrO2
InChI InChI=1S/C12H15BrO2/c1-3-9(2)8-15-12(14)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKey BIQDEPCHVKIHTG-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(=O)OCC(CC)C)Br