| SpectraBase Compound ID | 1M6J3sgnAXK |
|---|---|
| InChI | InChI=1S/C28H53NS/c1-3-5-7-9-11-13-15-17-19-24-29(26-23-28-22-21-27-30-28)25-20-18-16-14-12-10-8-6-4-2/h21-22,27H,3-20,23-26H2,1-2H3 |
| InChIKey | GRUVSVYAFQCPRH-UHFFFAOYSA-N |
| Mol Weight | 435.8 g/mol |
| Molecular Formula | C28H53NS |
| Exact Mass | 435.389872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTrdKzjt4yW |
|---|---|
| Name | Ethylamine, N,N-diundecyl-2-(2-thiophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.389871885 u |
| Formula | C28H53NS |
| InChI | InChI=1S/C28H53NS/c1-3-5-7-9-11-13-15-17-19-24-29(26-23-28-22-21-27-30-28)25-20-18-16-14-12-10-8-6-4-2/h21-22,27H,3-20,23-26H2,1-2H3 |
| InChIKey | GRUVSVYAFQCPRH-UHFFFAOYSA-N |
| Molecular Weight | 435.799 g/mol |
| SMILES | C1=CC=C(S1)CCN(CCCCCCCCCCC)CCCCCCCCCCC |