| SpectraBase Compound ID | 5fP2qu3Y0Yg |
|---|---|
| InChI | InChI=1S/C12H15NOS/c1-12(2,3)11(14)13-8-4-6-10-7-5-9-15-10/h5,7,9H,8H2,1-3H3,(H,13,14) |
| InChIKey | FECUVTHOCXAPRR-UHFFFAOYSA-N |
| Mol Weight | 221.32 g/mol |
| Molecular Formula | C12H15NOS |
| Exact Mass | 221.087435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0RMzTBmuE4 |
|---|---|
| Name | N-(3-(Thiophen-2-yl)prop-2-ynyl)pivalamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.087435280 u |
| Formula | C12H15NOS |
| InChI | InChI=1S/C12H15NOS/c1-12(2,3)11(14)13-8-4-6-10-7-5-9-15-10/h5,7,9H,8H2,1-3H3,(H,13,14) |
| InChIKey | FECUVTHOCXAPRR-UHFFFAOYSA-N |
| Molecular Weight | 221.318 g/mol |
| SMILES | C(C(C)(C)C)(=O)NCC#CC=1SC=CC1 |