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3-Bromanyl-4-tert-butyl-benzoic acid
SpectraBase Compound ID F7eaFFenhrI
InChI InChI=1S/C11H13BrO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)
InChIKey SHBYNNKZVBDWRW-UHFFFAOYSA-N
Mol Weight 257.13 g/mol
Molecular Formula C11H13BrO2
Exact Mass 256.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H58m55gUHUa
Name 3-Bromanyl-4-tert-butyl-benzoic acid
CAS Registry Number 38473-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13BrO2
InChI InChI=1S/C11H13BrO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)
InChIKey SHBYNNKZVBDWRW-UHFFFAOYSA-N
Molecular Weight 257.127 g/mol
SMILES OC(c1cc(c(C(C)(C)C)cc1)Br)=O
SPLASH splash10-07bf-1190000000-381fa3886246d5a170de
Source of Spectrum B-43-811-0
Synonyms 3-Bromo-4-tert-butyl-benzoic acid
Wiley ID 1259279