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2-[(2-isopropyl-5-methylphenoxy)methyl]benzoic acid

View entire compound with spectra: 1 MS (GC)

2-[(2-isopropyl-5-methylphenoxy)methyl]benzoic acid
SpectraBase Compound ID 7uv64j6TFsr
InChI InChI=1S/C18H20O3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKey SNMSHKDYNAUXSE-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 5mh1frIlYps
Name 2-[(2-isopropyl-5-methylphenoxy)methyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKey SNMSHKDYNAUXSE-UHFFFAOYSA-N
Molecular Weight 284.355 g/mol
SMILES OC(=O)c1c(COc2cc(ccc2C(C)C)C)cccc1
SPLASH splash10-000i-5900000000-483004e13c019e046a3f
Synonyms 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]benzoic acid Benzoic acid, 2-(2-isopropyl-5-methylphenoxymethyl)- 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzoic acid
Wiley ID 1447323