SpectraBase Compound ID | 32ed1SVhk8 |
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InChI | InChI=1S/C7H5NO2S/c9-5-2-1-3-8-6(10)4-11-7(5)8/h1-4,10H |
InChIKey | WJDNUMGWKKKHHV-UHFFFAOYSA-N |
Mol Weight | 167.18 g/mol |
Molecular Formula | C7H5NO2S |
Exact Mass | 167.0041 g/mol |
SpectraBase Spectrum ID | KTv4VXXh8Fl |
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Name | Thiazolo[3,2-A]pyridinium,3,8-dihydroxy-,hydroxide,inner salt |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 167.004099577 u |
Formula | C7H5NO2S |
InChI | InChI=1S/C7H5NO2S/c9-5-2-1-3-8-6(10)4-11-7(5)8/h1-4,10H |
InChIKey | WJDNUMGWKKKHHV-UHFFFAOYSA-N |
SMILES | C12=N(=CC=CC2=O)C(=CS1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964049 |