| SpectraBase Spectrum ID |
IejFDAMsnrV |
| Name |
Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester |
| CAS Registry Number |
69844-33-3 |
| 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 |
234.161979946 u |
| 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 |
| Molecular Weight |
234.339 g/mol |
| Number of Peaks |
10 |
| SMILES |
C(Oc1cc(C)ccc1C(C)C)(CC(C)C)=O |
| SPLASH |
splash10-0f79-4900000000-ab67c6ed8c0465706585 |
| Source of Spectrum |
FF-22-482-92 (DOI: 10.1002/ffj.1824) |
| Synonyms |
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 |
| Wiley ID |
1775489 |
