![1-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-ethanone](/api/spectrum/63abT3PQlX3/structure.png?h=300&w=458 "1-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-ethanone")
| SpectraBase Compound ID | CTWpk1D9huD |
|---|---|
| InChI | InChI=1S/C17H15NO2S2/c1-11(19)12-7-8-15(20-2)13(9-12)10-21-17-18-14-5-3-4-6-16(14)22-17/h3-9H,10H2,1-2H3 |
| InChIKey | OBBVALGISJQYJR-UHFFFAOYSA-N |
| Mol Weight | 329.43 g/mol |
| Molecular Formula | C17H15NO2S2 |
| Exact Mass | 329.054421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 63abT3PQlX3 |
|---|---|
| Name | 1-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-methoxy-phenyl]-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.054421073 u |
| Formula | C17H15NO2S2 |
| InChI | InChI=1S/C17H15NO2S2/c1-11(19)12-7-8-15(20-2)13(9-12)10-21-17-18-14-5-3-4-6-16(14)22-17/h3-9H,10H2,1-2H3 |
| InChIKey | OBBVALGISJQYJR-UHFFFAOYSA-N |
| Molecular Weight | 329.432 g/mol |
| SMILES | C1(=NC=2C=CC=CC2S1)SCC1=CC(C(=O)C)=CC=C1OC |