![2-Methyl-3-{5-[5-(3-pyridyl)pentanoyl]-2-thienyl}propyl acetate](/api/spectrum/1XrTW3tlj8o/structure.png?h=300&w=458 "2-Methyl-3-{5-[5-(3-pyridyl)pentanoyl]-2-thienyl}propyl acetate")
| SpectraBase Compound ID | KyxAHnr2b1y |
|---|---|
| InChI | InChI=1S/C20H25NO3S/c1-15(14-24-16(2)22)12-18-9-10-20(25-18)19(23)8-4-3-6-17-7-5-11-21-13-17/h5,7,9-11,13,15H,3-4,6,8,12,14H2,1-2H3 |
| InChIKey | QZNNGAJROIDEQA-UHFFFAOYSA-N |
| Mol Weight | 359.48 g/mol |
| Molecular Formula | C20H25NO3S |
| Exact Mass | 359.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XrTW3tlj8o |
|---|---|
| Name | 2-Methyl-3-{5-[5-(3-pyridyl)pentanoyl]-2-thienyl}propyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.155514840 u |
| Formula | C20H25NO3S |
| InChI | InChI=1S/C20H25NO3S/c1-15(14-24-16(2)22)12-18-9-10-20(25-18)19(23)8-4-3-6-17-7-5-11-21-13-17/h5,7,9-11,13,15H,3-4,6,8,12,14H2,1-2H3 |
| InChIKey | QZNNGAJROIDEQA-UHFFFAOYSA-N |
| Molecular Weight | 359.484 g/mol |
| SMILES | C=1(SC(=CC1)CC(COC(=O)C)C)C(=O)CCCCC=1C=NC=CC1 |