![m-[(2,3,4,5,6-Pentamethylbenzyl)thio]aniline](/api/spectrum/6KRz7h4bxiM/structure.png?h=300&w=458 "m-[(2,3,4,5,6-Pentamethylbenzyl)thio]aniline")
| SpectraBase Compound ID | 8TWfop7HWy9 |
|---|---|
| InChI | InChI=1S/C18H23NS/c1-11-12(2)14(4)18(15(5)13(11)3)10-20-17-8-6-7-16(19)9-17/h6-9H,10,19H2,1-5H3 |
| InChIKey | DIZLTAYKCCEBIO-UHFFFAOYSA-N |
| Mol Weight | 285.45 g/mol |
| Molecular Formula | C18H23NS |
| Exact Mass | 285.155121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KRz7h4bxiM |
|---|---|
| Name | m-[(2,3,4,5,6-Pentamethylbenzyl)thio]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.155120919 u |
| Formula | C18H23NS |
| InChI | InChI=1S/C18H23NS/c1-11-12(2)14(4)18(15(5)13(11)3)10-20-17-8-6-7-16(19)9-17/h6-9H,10,19H2,1-5H3 |
| InChIKey | DIZLTAYKCCEBIO-UHFFFAOYSA-N |
| Molecular Weight | 285.449 g/mol |
| SMILES | NC1=CC(SCC2=C(C(=C(C(=C2C)C)C)C)C)=CC=C1 |