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2-tert-Butyl-benzoic acid
SpectraBase Compound ID FsaZ8XNVNeR
InChI InChI=1S/C11H14O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey ZDFKSZDMHJHQHS-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IT3NvOKMeT3
Name 2-(1,1-Dimethylethyl)benzoic acid
CAS Registry Number 1077-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey ZDFKSZDMHJHQHS-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(c1c(C(C)(C)C)cccc1)=O
SPLASH splash10-00kb-1900000000-2a31ebf2c6fcc7d67857
Source of Spectrum C-115-10634-0
Synonyms 2-tert-Butylbenzoic acid Benzoic acid, 2-(1,1-dimethylethyl)-
Wiley ID 1174401