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Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
SpectraBase Compound ID 4OspiKNMmdm
InChI InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3
InChIKey NZIACPHCVAFJBR-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXtS7LFIPRX
Name Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
Alternate Name(s) Thymyl isovalerate 2-Isopropyl-5-methylphenyl 3-methylbutanoate 3-Methylbutanoic acid (5-methyl-2-propan-2-ylphenyl) ester (5-methyl-2-propan-2-ylphenyl) 3-methylbutanoate (2-isopropyl-5-methyl-phenyl) 3-methylbutanoate (5-methyl-2-propan-2-yl-phenyl) 3-methylbutanoate
CAS Registry Number 69844-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3
InChIKey NZIACPHCVAFJBR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1824
Molecular Weight 234.339 g/mol
SMILES C(Oc1cc(C)ccc1C(C)C)(CC(C)C)=O
SPLASH splash10-0f79-4900000000-ab67c6ed8c0465706585
Source of Spectrum FF-22-482-92
Wiley ID 1775489