| SpectraBase Compound ID | 7qxV5OXXHb4 |
|---|---|
| InChI | InChI=1S/C12H17NO3S/c1-2-3-4-7-16-12(15)11(14)13-9-10-6-5-8-17-10/h5-6,8H,2-4,7,9H2,1H3,(H,13,14) |
| InChIKey | HJIPEULNSAQWGC-UHFFFAOYSA-N |
| Mol Weight | 255.33 g/mol |
| Molecular Formula | C12H17NO3S |
| Exact Mass | 255.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 37htM0mW18i |
|---|---|
| Name | Oxalic acid, monoamide, N-(2-thienylmethyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.092914582 u |
| Formula | C12H17NO3S |
| InChI | InChI=1S/C12H17NO3S/c1-2-3-4-7-16-12(15)11(14)13-9-10-6-5-8-17-10/h5-6,8H,2-4,7,9H2,1H3,(H,13,14) |
| InChIKey | HJIPEULNSAQWGC-UHFFFAOYSA-N |
| Molecular Weight | 255.332 g/mol |
| SMILES | C(NCC1=CC=CS1)(C(OCCCCC)=O)=O |