| SpectraBase Compound ID | Fc6nXpUST6a |
|---|---|
| InChI | InChI=1S/C17H27NO3S/c1-4-5-6-7-10-21-17(20)14(12-13(2)3)18-16(19)15-9-8-11-22-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,18,19) |
| InChIKey | PHAXTYPEESKKQH-UHFFFAOYSA-N |
| Mol Weight | 325.47 g/mol |
| Molecular Formula | C17H27NO3S |
| Exact Mass | 325.171165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YIVcHs8Ecv |
|---|---|
| Name | L-Leucine, N-(thiophen-2-carbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.171164904 u |
| Formula | C17H27NO3S |
| InChI | InChI=1S/C17H27NO3S/c1-4-5-6-7-10-21-17(20)14(12-13(2)3)18-16(19)15-9-8-11-22-15/h8-9,11,13-14H,4-7,10,12H2,1-3H3,(H,18,19) |
| InChIKey | PHAXTYPEESKKQH-UHFFFAOYSA-N |
| Molecular Weight | 325.467 g/mol |
| SMILES | C1(=CC=CS1)C(=O)NC(C(OCCCCCC)=O)CC(C)C |