| SpectraBase Compound ID | 3yE6lTw1FZ8 |
|---|---|
| InChI | InChI=1S/C12H17NO3S/c1-3-17-12(15)10(6-7-11(14)16-2)13-8-4-5-9-13/h4-5,8-10H,3,6-7H2,1-2H3 |
| InChIKey | PVYMDIICDXCKGN-UHFFFAOYSA-N |
| Mol Weight | 255.33 g/mol |
| Molecular Formula | C12H17NO3S |
| Exact Mass | 255.092915 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BeENyPZhbc7 |
|---|---|
| Name | Methyl 5-(Ethylthio)-5-oxo-4-(1H-pyrrol-1-yl)pentanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17NO3S |
| InChI | InChI=1S/C12H17NO3S/c1-3-17-12(15)10(6-7-11(14)16-2)13-8-4-5-9-13/h4-5,8-10H,3,6-7H2,1-2H3 |
| InChIKey | PVYMDIICDXCKGN-UHFFFAOYSA-N |
| Molecular Weight | 255.332 g/mol |
| SMILES | C([n]1cccc1)(C(=O)SCC)CCC(=O)OC |
| SPLASH | splash10-0aor-0900000000-d0553fcad2456158ad44 |
| Source of Spectrum | F4-44-1053-9 |
| Wiley ID | 1707066 |