![benzo[b]thiophene-2-carboxamide, N-butyl-3-chloro-](/api/spectrum/LB1ekjR4br8/structure.png?h=300&w=458 "benzo[b]thiophene-2-carboxamide, N-butyl-3-chloro-")
| SpectraBase Compound ID | 1HbIROYvdm6 |
|---|---|
| InChI | InChI=1S/C13H14ClNOS/c1-2-3-8-15-13(16)12-11(14)9-6-4-5-7-10(9)17-12/h4-7H,2-3,8H2,1H3,(H,15,16) |
| InChIKey | XYMGMCGANMZZLE-UHFFFAOYSA-N |
| Mol Weight | 267.77 g/mol |
| Molecular Formula | C13H14ClNOS |
| Exact Mass | 267.048463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LB1ekjR4br8 |
|---|---|
| Name | Benzo[B]thiophene-2-carboxamide, N-butyl-3-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.048462948 u |
| Formula | C13H14ClNOS |
| InChI | InChI=1S/C13H14ClNOS/c1-2-3-8-15-13(16)12-11(14)9-6-4-5-7-10(9)17-12/h4-7H,2-3,8H2,1H3,(H,15,16) |
| InChIKey | XYMGMCGANMZZLE-UHFFFAOYSA-N |
| Molecular Weight | 267.774 g/mol |
| SMILES | N(C(C=1SC=2C=CC=CC2C1Cl)=O)CCCC |