![2-((4-Tert-butylphenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide](/api/spectrum/3MK9U1NlTdk/structure.png?h=300&w=458 "2-((4-Tert-butylphenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide")
| SpectraBase Compound ID | 3HsrQWMVN6U |
|---|---|
| InChI | InChI=1S/C20H30N2OS/c1-20(2,3)14-5-9-18(10-6-14)24-13-19(23)21-15-11-16-7-8-17(12-15)22(16)4/h5-6,9-10,15-17H,7-8,11-13H2,1-4H3,(H,21,23)/t15-,16+,17- |
| InChIKey | QXYGTAJSFXFZEM-BJWYYQGGSA-N |
| Mol Weight | 346.53 g/mol |
| Molecular Formula | C20H30N2OS |
| Exact Mass | 346.207885 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MK9U1NlTdk |
|---|---|
| Name | 2-((4-Tert-butylphenyl)sulfanyl)-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.207884767 u |
| Formula | C20H30N2OS |
| InChI | InChI=1S/C20H30N2OS/c1-20(2,3)14-5-9-18(10-6-14)24-13-19(23)21-15-11-16-7-8-17(12-15)22(16)4/h5-6,9-10,15-17H,7-8,11-13H2,1-4H3,(H,21,23)/t15-,16+,17- |
| InChIKey | QXYGTAJSFXFZEM-BJWYYQGGSA-N |
| Molecular Weight | 346.533 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C)(C)C)SCC(N[C@]1(C[C@@]2(N(C)[C@](C1)(CC2)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870686 |