| SpectraBase Spectrum ID |
2g2ukxZyygs |
| Name |
N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.160934574 u |
| Formula |
C17H24N2OS |
| InChI |
InChI=1S/C17H24N2OS/c1-12-3-7-16(8-4-12)21-11-17(20)18-13-9-14-5-6-15(10-13)19(14)2/h3-4,7-8,13-15H,5-6,9-11H2,1-2H3,(H,18,20)/t13-,14+,15- |
| InChIKey |
VHAKNVSFJRCYOX-QDMKHBRRSA-N |
| Molecular Weight |
304.452 g/mol |
| SMILES |
C1(=CC=C(C=C1)C)SCC(N[C@]1(C[C@@]2(N(C)[C@](C1)(CC2)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883317 |
![N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide](/api/spectrum/2g2ukxZyygs/structure.png?h=300&w=458 "N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide")
