| SpectraBase Spectrum ID |
DYLeUpdQBEP |
| Name |
Thymyl isobutyrate |
| CAS Registry Number |
5451-67-2 |
| Classification |
Aromatic monoterpenoids |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| 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 |
| Molecular Weight |
220.312 g/mol |
| Number of Peaks |
10 |
| SMILES |
C(C(C)C)(=O)Oc1cc(C)ccc1C(C)C |
| SPLASH |
splash10-0f76-7900000000-af629c5a35ede933deef |
| Source of Spectrum |
FF-22-482-56 (DOI: 10.1002/ffj.1824) |
| 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 |
