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4-[(4-tert-Butylphenoxy)methyl]benzoic acid
SpectraBase Compound ID FjOHzKDNOGb
InChI InChI=1S/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
InChIKey JVJSNLQHNQFVGD-UHFFFAOYSA-N
Mol Weight 284.35 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Gd1T4BBqag
Name 4-[(4-tert-Butylphenoxy)methyl]benzoic acid
CAS Registry Number 132991-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-18(2,3)15-8-10-16(11-9-15)21-12-13-4-6-14(7-5-13)17(19)20/h4-11H,12H2,1-3H3,(H,19,20)
InChIKey JVJSNLQHNQFVGD-UHFFFAOYSA-N
Molecular Weight 284.355 g/mol
SMILES OC(c1ccc(cc1)COc1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-000i-4920000000-7dff6bdd46f0333b8af3
Source of Spectrum AD-0-2532-0
Synonyms Benzoic acid, 4-(4-tert-butylphenoxymethyl)-
Wiley ID 1433945