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4-Bromo-3,5-di-t-butylbenzoic acid

View entire compound with spectra: 1 MS (GC)

4-Bromo-3,5-di-t-butylbenzoic acid
SpectraBase Compound ID B2NtepljL0G
InChI InChI=1S/C15H21BrO2/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8H,1-6H3,(H,17,18)
InChIKey IPGCUZOCHMOBQO-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C15H21BrO2
Exact Mass 312.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ObLj1tGuVx
Name 4-Bromo-3,5-di-t-butylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO2
InChI InChI=1S/C15H21BrO2/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8H,1-6H3,(H,17,18)
InChIKey IPGCUZOCHMOBQO-UHFFFAOYSA-N
Molecular Weight 313.235 g/mol
SMILES OC(c1cc(c(c(c1)C(C)(C)C)Br)C(C)(C)C)=O
SPLASH splash10-0f89-0290000000-068deae00ad3e75b004b
Source of Spectrum HC-78-1115-1
Synonyms 4-Bromo-3,5-ditert-butylbenzoic acid
Wiley ID 1612725