| SpectraBase Compound ID | BNg1MJEK1mO |
|---|---|
| InChI | InChI=1S/C13H15NO3S3.Na/c1-10(18)9-13-14(7-4-8-20(15,16)17)11-5-2-3-6-12(11)19-13;/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16,17);/q;+1/p-1/b13-9-; |
| InChIKey | TUBSPTGCCJDQFQ-CHHCPSLASA-M |
| Mol Weight | 351.43 g/mol |
| Molecular Formula | C13H14NNaO3S3 |
| Exact Mass | 351.003351 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4XcuHFVq291 |
|---|---|
| Name | sodium 3-((2Z)-2-(2-thioxopropylidene)-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.003351114 u |
| Formula | C13H14NNaO3S3 |
| InChI | InChI=1S/C13H15NO3S3.Na/c1-10(18)9-13-14(7-4-8-20(15,16)17)11-5-2-3-6-12(11)19-13;/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16,17);/q;+1/p-1/b13-9-; |
| InChIKey | TUBSPTGCCJDQFQ-CHHCPSLASA-M |
| Molecular Weight | 351.429 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_4893 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12318058 |