| SpectraBase Spectrum ID |
IRXwkbvwQu4 |
| Name |
Benzenebutanethioic acid, .alpha.,.alpha.,2,4,6-pentamethyl-, S-(1,1-dimethylethyl) ester |
| CAS Registry Number |
112303-79-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H30OS |
| InChI |
InChI=1S/C19H30OS/c1-13-11-14(2)16(15(3)12-13)9-10-19(7,8)17(20)21-18(4,5)6/h11-12H,9-10H2,1-8H3 |
| InChIKey |
ZBEHJQCMRLFYHP-UHFFFAOYSA-N |
| Molecular Weight |
306.508 g/mol |
| SMILES |
C(SC(C)(C)C)(C(CCc1c(cc(cc1C)C)C)(C)C)=O |
| SPLASH |
splash10-001i-0900000000-a8adc760f76297336782 |
| Source of Spectrum |
C-110-4651-4 |
| Synonyms |
S-(tert-butyl) 4-mesityl-2,2-dimethylbutanethioate |
| Wiley ID |
1308352 |
