![Benzothiazole, 2-[[2-(4-propoxyphenoxy)ethyl]thio]-](/api/spectrum/Lexp4iZAVhw/structure.png?h=300&w=458 "Benzothiazole, 2-[[2-(4-propoxyphenoxy)ethyl]thio]-")
| SpectraBase Compound ID | 6knrgxXMQpd |
|---|---|
| InChI | InChI=1S/C18H19NO2S2/c1-2-11-20-14-7-9-15(10-8-14)21-12-13-22-18-19-16-5-3-4-6-17(16)23-18/h3-10H,2,11-13H2,1H3 |
| InChIKey | IBMDJQZYRLPPPZ-UHFFFAOYSA-N |
| Mol Weight | 345.48 g/mol |
| Molecular Formula | C18H19NO2S2 |
| Exact Mass | 345.085721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lexp4iZAVhw |
|---|---|
| Name | Benzothiazole, 2-[[2-(4-propoxyphenoxy)ethyl]thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.085721202 u |
| Formula | C18H19NO2S2 |
| InChI | InChI=1S/C18H19NO2S2/c1-2-11-20-14-7-9-15(10-8-14)21-12-13-22-18-19-16-5-3-4-6-17(16)23-18/h3-10H,2,11-13H2,1H3 |
| InChIKey | IBMDJQZYRLPPPZ-UHFFFAOYSA-N |
| Molecular Weight | 345.475 g/mol |
| SMILES | C1(=NC=2C=CC=CC2S1)SCCOC1=CC=C(C=C1)OCCC |