![1-Tert-butyl-4-{2-[(4-methoxyphenyl)thio]ethyl}benzene](/api/spectrum/BnRoxQ8J2yk/structure.png?h=300&w=458 "1-Tert-butyl-4-{2-[(4-methoxyphenyl)thio]ethyl}benzene")
| SpectraBase Compound ID | E4I6LtQI2kx |
|---|---|
| InChI | InChI=1S/C19H24OS/c1-19(2,3)16-7-5-15(6-8-16)13-14-21-18-11-9-17(20-4)10-12-18/h5-12H,13-14H2,1-4H3 |
| InChIKey | DRHZDGABZWZLAS-UHFFFAOYSA-N |
| Mol Weight | 300.46 g/mol |
| Molecular Formula | C19H24OS |
| Exact Mass | 300.154787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnRoxQ8J2yk |
|---|---|
| Name | 1-Tert-butyl-4-{2-[(4-methoxyphenyl)thio]ethyl}benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.154786566 u |
| Formula | C19H24OS |
| InChI | InChI=1S/C19H24OS/c1-19(2,3)16-7-5-15(6-8-16)13-14-21-18-11-9-17(20-4)10-12-18/h5-12H,13-14H2,1-4H3 |
| InChIKey | DRHZDGABZWZLAS-UHFFFAOYSA-N |
| Molecular Weight | 300.460 g/mol |
| SMILES | C=1C=C(CCSC2=CC=C(C=C2)OC)C=CC1C(C)(C)C |