| SpectraBase Compound ID | 1gfyAq3YGta |
|---|---|
| InChI | InChI=1S/C15H11NO4S/c17-11-3-2-9(7-12(11)18)15-16-10-5-8(6-14(19)20)1-4-13(10)21-15/h1-5,7,17-18H,6H2,(H,19,20) |
| InChIKey | MQIURTLPJDJFHN-UHFFFAOYSA-N |
| Mol Weight | 301.32 g/mol |
| Molecular Formula | C15H11NO4S |
| Exact Mass | 301.040879 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DuoCGs3wb6 |
|---|---|
| Name | 2-(3,4-dihydroxyphenyl)-5-benzothiazoleacetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H11NO4S |
| InChI | InChI=1S/C15H11NO4S/c17-11-3-2-9(7-12(11)18)15-16-10-5-8(6-14(19)20)1-4-13(10)21-15/h1-5,7,17-18H,6H2,(H,19,20) |
| InChIKey | MQIURTLPJDJFHN-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Polar Surface Area Predicted | 90.65 |
| Sadtler NMR Number | 22231M |
| Solvent | Polysol |