![N-[2'-N'-(Ethylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-one](/api/spectrum/4tYxV55MtXi/structure.png?h=300&w=458 "N-[2'-N'-(Ethylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-one")
| SpectraBase Compound ID | HfNKGw0Ie3K |
|---|---|
| InChI | InChI=1S/C12H14N2O3S/c1-2-13-12(16)17-8-7-14-11(15)9-5-3-4-6-10(9)18-14/h3-6H,2,7-8H2,1H3,(H,13,16) |
| InChIKey | RVLGYHPWHGMHIQ-UHFFFAOYSA-N |
| Mol Weight | 266.31 g/mol |
| Molecular Formula | C12H14N2O3S |
| Exact Mass | 266.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tYxV55MtXi |
|---|---|
| Name | N-[2'-N'-(Ethylcarbamoyl)ethyl]-1,2-benzisothiazol-3(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.072513490 u |
| Formula | C12H14N2O3S |
| InChI | InChI=1S/C12H14N2O3S/c1-2-13-12(16)17-8-7-14-11(15)9-5-3-4-6-10(9)18-14/h3-6H,2,7-8H2,1H3,(H,13,16) |
| InChIKey | RVLGYHPWHGMHIQ-UHFFFAOYSA-N |
| SMILES | C1(N(SC2=CC=CC=C12)CCOC(=O)NCC)=O |