| SpectraBase Compound ID | 8Yfdw1usQY7 |
|---|---|
| InChI | InChI=1S/C15H17NO3S/c17-14(19-11-5-1-2-6-11)9-10-16-12-7-3-4-8-13(12)20-15(16)18/h3-4,7-8,11H,1-2,5-6,9-10H2 |
| InChIKey | AAXHIZJRJHXRFZ-UHFFFAOYSA-N |
| Mol Weight | 291.37 g/mol |
| Molecular Formula | C15H17NO3S |
| Exact Mass | 291.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBL1WZCOnzi |
|---|---|
| Name | 1,3-Benzothiazole-3-propanoic acid, 2,3-dihydro-2-oxo-, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.092914582 u |
| Formula | C15H17NO3S |
| InChI | InChI=1S/C15H17NO3S/c17-14(19-11-5-1-2-6-11)9-10-16-12-7-3-4-8-13(12)20-15(16)18/h3-4,7-8,11H,1-2,5-6,9-10H2 |
| InChIKey | AAXHIZJRJHXRFZ-UHFFFAOYSA-N |
| SMILES | C1(N(C2=CC=CC=C2S1)CCC(OC1CCCC1)=O)=O |