![2-[2-(4-Acetoxy-3-methoxyphenyl)ethyl]benzothiazole](/api/spectrum/7wEk2NiA5j3/structure.png?h=300&w=458 "2-[2-(4-Acetoxy-3-methoxyphenyl)ethyl]benzothiazole")
| SpectraBase Compound ID | 8rErBjedzuH |
|---|---|
| InChI | InChI=1S/C18H17NO3S/c1-12(20)22-15-9-7-13(11-16(15)21-2)8-10-18-19-14-5-3-4-6-17(14)23-18/h3-7,9,11H,8,10H2,1-2H3 |
| InChIKey | JJHKHQZZFUIZTH-UHFFFAOYSA-N |
| Mol Weight | 327.4 g/mol |
| Molecular Formula | C18H17NO3S |
| Exact Mass | 327.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wEk2NiA5j3 |
|---|---|
| Name | 2-[2-(4-Acetoxy-3-methoxyphenyl)ethyl]benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.092914582 u |
| Formula | C18H17NO3S |
| InChI | InChI=1S/C18H17NO3S/c1-12(20)22-15-9-7-13(11-16(15)21-2)8-10-18-19-14-5-3-4-6-17(14)23-18/h3-7,9,11H,8,10H2,1-2H3 |
| InChIKey | JJHKHQZZFUIZTH-UHFFFAOYSA-N |
| Molecular Weight | 327.398 g/mol |
| SMILES | C=1(SC=2C(N1)=CC=CC2)CCC=1C=C(C(=CC1)OC(=O)C)OC |