| SpectraBase Compound ID | 5WiSYA0J2Wi |
|---|---|
| InChI | InChI=1S/C9H11NO4S/c1-14-9(11)5-7(6-10(12)13)8-3-2-4-15-8/h2-4,7H,5-6H2,1H3 |
| InChIKey | FITIKEUNMAAGQV-UHFFFAOYSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C9H11NO4S |
| Exact Mass | 229.040879 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 19r5ofPATAD |
|---|---|
| Name | methyl 4-nitro-3-(2-thienyl)butanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H11NO4S |
| InChI | InChI=1S/C9H11NO4S/c1-14-9(11)5-7(6-10(12)13)8-3-2-4-15-8/h2-4,7H,5-6H2,1H3 |
| InChIKey | FITIKEUNMAAGQV-UHFFFAOYSA-N |
| Molecular Weight | 229.250 g/mol |
| SMILES | C(N(=O)=O)C(c1sccc1)CC(=O)OC |
| SPLASH | splash10-00e9-0900000000-c1d053103258c0928bf7 |
| Source of Spectrum | JA-50-19-0 |
| Wiley ID | 1230500 |