| SpectraBase Compound ID | GWBZBMS0gOp |
|---|---|
| InChI | InChI=1S/C12H10ClNOS/c1-2-7-14-12(15)11-10(13)8-5-3-4-6-9(8)16-11/h2-6H,1,7H2,(H,14,15) |
| InChIKey | OHUVNKPXCUQOHA-UHFFFAOYSA-N |
| Mol Weight | 251.73 g/mol |
| Molecular Formula | C12H10ClNOS |
| Exact Mass | 251.017163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2sz4q1ZRCj4 |
|---|---|
| Name | N-Allyl-3-chloro-1-benzothiophene-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.017162819 u |
| Formula | C12H10ClNOS |
| InChI | InChI=1S/C12H10ClNOS/c1-2-7-14-12(15)11-10(13)8-5-3-4-6-9(8)16-11/h2-6H,1,7H2,(H,14,15) |
| InChIKey | OHUVNKPXCUQOHA-UHFFFAOYSA-N |
| Molecular Weight | 251.731 g/mol |
| SMILES | N(C(C=1SC=2C=CC=CC2C1Cl)=O)CC=C |