| SpectraBase Compound ID | Ks2gsuOW0tx |
|---|---|
| InChI | InChI=1S/C22H39NS/c1-3-5-7-9-14-18-23(19-15-10-8-6-4-2)20-21-24-22-16-12-11-13-17-22/h11-13,16-17H,3-10,14-15,18-21H2,1-2H3 |
| InChIKey | NXOGMFGPMREZFU-UHFFFAOYSA-N |
| Mol Weight | 349.6 g/mol |
| Molecular Formula | C22H39NS |
| Exact Mass | 349.280321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GL5Pq1vOnqt |
|---|---|
| Name | Ethylamine, N,N-diheptyl-2-phenylthio |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.280321434 u |
| Formula | C22H39NS |
| InChI | InChI=1S/C22H39NS/c1-3-5-7-9-14-18-23(19-15-10-8-6-4-2)20-21-24-22-16-12-11-13-17-22/h11-13,16-17H,3-10,14-15,18-21H2,1-2H3 |
| InChIKey | NXOGMFGPMREZFU-UHFFFAOYSA-N |
| Molecular Weight | 349.621 g/mol |
| SMILES | C(N(CCCCCCC)CCCCCCC)CSC1=CC=CC=C1 |