| SpectraBase Spectrum ID |
GDClCwdPHfs |
| Name |
Benzenebutanethioic acid, .alpha.,.alpha.,2,4,6-pentamethyl-, S-ethyl ester |
| Alternate Name(s) |
S-ethyl 4-mesityl-2,2-dimethylbutanethioate |
| CAS Registry Number |
112303-78-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H26OS |
| InChI |
InChI=1S/C17H26OS/c1-7-19-16(18)17(5,6)9-8-15-13(3)10-12(2)11-14(15)4/h10-11H,7-9H2,1-6H3 |
| InChIKey |
AMVQUBBWSUYJKQ-UHFFFAOYSA-N |
| Molecular Weight |
278.454 g/mol |
| SMILES |
c1(c(cc(cc1C)C)C)CCC(C(=O)SCC)(C)C |
| SPLASH |
splash10-001i-0900000000-9415dfa0db385bcde1b2 |
| Source of Spectrum |
C-110-4651-4 |
| Wiley ID |
1282243 |
