QLUFBCVWKTWKBF-UHFFFAOYSA-N
Compound with spectra: 10 NMR, 3 FTIR, and 1 MS (GC)
| SpectraBase Compound ID | 5eojzF2yAL8 |
|---|---|
| InChI | InChI=1S/C7H4N2O2S/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H |
| InChIKey | QLUFBCVWKTWKBF-UHFFFAOYSA-N |
| Mol Weight | 180.18 g/mol |
| Molecular Formula | C7H4N2O2S |
| Exact Mass | 179.999349 g/mol |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 469114 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | A10634 |
| Technique | KBr1 |
| Copyright | Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, Thermo Fisher Scientific |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | A10634 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 469114 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | NP-17-6512-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 469114 |
| Solvent | CDCl3 |
- 6-NITROBENZOTHIAZOL
- 6-Nitrobenzothiazole
6-NITRO-BENZOXAZOLE
N-NITROBENZIMIDAZOLIUM-TRIFLATE;NBT
2-N15-5-NITROINDAZOLE
2-NITROBENZOTHIAZOL
Thiocyanic acid, 2-benzothiazolyl ester
3-methylbenzothiazolium p-toluenesulfonate
1.3-Benzothiazol-2-yl fluoromethylsulfide
3-ethylbenzothiazolium iodide
5-(Trifluoromethyl)benzothiazole
2-Benzothiazolamine, N-ethyl-
| Title | Journal or Book | Year |
|---|---|---|
| Transmission of substituent effects in heterocyclic systems by carbon-13 nuclear magnetic resonance. Benzothiazoles | The Journal of Organic Chemistry | 1979 |
| Etudes d'Hétérocycles Pentagonaux Polyhétéroatomiques par RMN du13C. Effets de Substituant, de la Benzocondensation et Etude de la Tautomèrie Prototropique en Série Benzothiazolique | Organic Magnetic Resonance | 1978 |
KnowItAll NMR Spectral Library
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The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
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