| SpectraBase Spectrum ID |
F6L8F6erNwB |
| Name |
Benzenebutanoic acid, .alpha.-[[(1,1-dimethylethyl)thio]carbonyl]-.alpha.,2,4,6-tetramethyl-, ethyl ester |
| CAS Registry Number |
114739-25-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3S |
| InChI |
InChI=1S/C21H32O3S/c1-9-24-18(22)21(8,19(23)25-20(5,6)7)11-10-17-15(3)12-14(2)13-16(17)4/h12-13H,9-11H2,1-8H3 |
| InChIKey |
KGARTRPPFQTJJQ-UHFFFAOYSA-N |
| Molecular Weight |
364.544 g/mol |
| SMILES |
C(C(SC(C)(C)C)=O)(C(=O)OCC)(CCc1c(cc(cc1C)C)C)C |
| SPLASH |
splash10-001i-0900000000-6b29bda29e84e5cd2f13 |
| Source of Spectrum |
C-110-4651-10 |
| Synonyms |
ethyl 2-[(tert-butylsulfanyl)carbonyl]-4-mesityl-2-methylbutanoate |
| Wiley ID |
1350876 |
![Benzenebutanoic acid, .alpha.-[[(1,1-dimethylethyl)thio]carbonyl]-.alpha.,2,4,6-tetramethyl-, ethyl ester](/api/spectrum/F6L8F6erNwB/structure.png?h=300&w=458 "Benzenebutanoic acid, .alpha.-[[(1,1-dimethylethyl)thio]carbonyl]-.alpha.,2,4,6-tetramethyl-, ethyl ester")
