| SpectraBase Compound ID | 98HIvI4poLx |
|---|---|
| InChI | InChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2 |
| InChIKey | QTLCXGYKTPZNJP-UHFFFAOYSA-N |
| Mol Weight | 313.42 g/mol |
| Molecular Formula | C18H19NO2S |
| Exact Mass | 313.11365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dk256Seu0Jl |
|---|---|
| Name | (2-Benzylsulfanyl-phenyl)-morpholin-4-yl-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.113650028 u |
| Formula | C18H19NO2S |
| InChI | InChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2 |
| InChIKey | QTLCXGYKTPZNJP-UHFFFAOYSA-N |
| Molecular Weight | 313.415 g/mol |
| SMILES | C(C1=C(SCC2=CC=CC=C2)C=CC=C1)(N1CCOCC1)=O |