| SpectraBase Compound ID | JbYEqLAtyt7 |
|---|---|
| InChI | InChI=1S/C8H5NO3S/c10-7-2-1-5(9-4-13)3-6(7)8(11)12/h1-3,10H,(H,11,12) |
| InChIKey | FXIXLMKSTCAARZ-UHFFFAOYSA-N |
| Mol Weight | 195.19 g/mol |
| Molecular Formula | C8H5NO3S |
| Exact Mass | 194.999014 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IvJOgVkGDqG |
|---|---|
| Name | 2-Hydroxy-5-isothiocyanatobenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5NO3S |
| InChI | InChI=1S/C8H5NO3S/c10-7-2-1-5(9-4-13)3-6(7)8(11)12/h1-3,10H,(H,11,12) |
| InChIKey | FXIXLMKSTCAARZ-UHFFFAOYSA-N |
| Molecular Weight | 195.192 g/mol |
| SMILES | OC(c1c(ccc(c1)N=C=S)O)=O |
| SPLASH | splash10-004j-0900000000-0f063c482b4fe489b2c7 |
| Source of Spectrum | QF-48-2293-3 |
| Synonyms | 5-isothiocyanato-2-oxidanyl-benzoic acid |
| Wiley ID | 834061 |