![(S)-4-Ethyl-2-[1-butyl-5-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline](/api/spectrum/5mQniWL8t18/structure.png?h=300&w=458 "(S)-4-Ethyl-2-[1-butyl-5-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline")
| SpectraBase Compound ID | BxYMsXV1TqP |
|---|---|
| InChI | InChI=1S/C26H44N2O3S/c1-4-7-9-11-17-24(28-32(29,30)25-19-12-10-13-20-25)18-14-16-22(15-8-5-2)26-27-23(6-3)21-31-26/h10,12-13,19-20,22-24,28H,4-9,11,14-18,21H2,1-3H3/t22?,23-,24?/m0/s1 |
| InChIKey | QSQGZXRNKZJKOR-WLXPTCNVSA-N |
| Mol Weight | 464.7 g/mol |
| Molecular Formula | C26H44N2O3S |
| Exact Mass | 464.307264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mQniWL8t18 |
|---|---|
| Name | (S)-4-Ethyl-2-[1-butyl-5-(N-phenylsulfonylamino)undecyl]-4,5-dihydrooxazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 464.307264456 u |
| Formula | C26H44N2O3S |
| InChI | InChI=1S/C26H44N2O3S/c1-4-7-9-11-17-24(28-32(29,30)25-19-12-10-13-20-25)18-14-16-22(15-8-5-2)26-27-23(6-3)21-31-26/h10,12-13,19-20,22-24,28H,4-9,11,14-18,21H2,1-3H3/t22?,23-,24?/m0/s1 |
| InChIKey | QSQGZXRNKZJKOR-WLXPTCNVSA-N |
| Molecular Weight | 464.709 g/mol |
| SMILES | C(NS(=O)(=O)C=1C=CC=CC1)(CCCC(C1=N[C@@](CC)(CO1)[H])CCCC)CCCCCC |