| SpectraBase Spectrum ID |
Cy3WLshBtxL |
| Name |
Benzenebutanol-.alpha.-13C, .beta.-methyl-, 4-methylbenzenesulfonate, (S)- |
| CAS Registry Number |
112055-45-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O3S |
| InChI |
InChI=1S/C18H22O3S/c1-15-11-13-18(14-12-15)22(19,20)21-16(2)7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,16H,6-7,10H2,1-2H3/t16-/m0/s1 |
| InChIKey |
JEYWUAFVSBVIJM-INIZCTEOSA-N |
| Molecular Weight |
318.431 g/mol |
| SMILES |
[C@](OS(c1ccc(cc1)C)(=O)=O)(CCCc1ccccc1)(C)[H] |
| SPLASH |
splash10-0f6x-8900000000-d84c086cbe7606bca040 |
| Source of Spectrum |
KC-1987-2434-0 |
| Synonyms |
(1S)-1-methyl-4-phenylbutyl 4-methylbenzenesulfonate
(S)-2-(toluene-p-sulfonylmethyl)-4-phenyl-butane |
| Wiley ID |
1318500 |
