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Thymyl isobutyrate
SpectraBase Compound ID AOEiTCBmGCh
InChI InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3
InChIKey HTPVUEJWIFHSCK-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaUmF9GMeSJ
Name Thymyl isobutyrate
CAS Registry Number 5451-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3
InChIKey HTPVUEJWIFHSCK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1824
Molecular Weight 220.312 g/mol
SMILES C(C(C)C)(=O)Oc1cc(C)ccc1C(C)C
SPLASH splash10-0f76-7900000000-af629c5a35ede933deef
Source of Spectrum FF-22-482-56
Synonyms Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester Isobutyric acid, thymyl ester Thymol, isobutyrate 2-Isopropyl-5-methylphenyl isobutyrate 2-Methylpropanoic acid (5-methyl-2-propan-2-ylphenyl) ester (5-methyl-2-propan-2-ylphenyl) 2-methylpropanoate (2-isopropyl-5-methyl-phenyl) 2-methylpropanoate (5-methyl-2-propan-2-yl-phenyl) 2-methylpropanoate
Wiley ID 1775487