| SpectraBase Compound ID | 4faqAYR0ZsR |
|---|---|
| InChI | InChI=1S/C9H7NO2S/c10-6-13-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | DRSDBFNYUYYDII-UHFFFAOYSA-N |
| Mol Weight | 193.22 g/mol |
| Molecular Formula | C9H7NO2S |
| Exact Mass | 193.01975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8qX20slYeNi |
|---|---|
| Name | 2-(4-Thiocyanatophenyl)acetic acid |
| Alternate Name(s) | 2-(4-Thiocyanatophenyl)ethanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO2S |
| InChI | InChI=1S/C9H7NO2S/c10-6-13-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5H2,(H,11,12) |
| InChIKey | DRSDBFNYUYYDII-UHFFFAOYSA-N |
| Molecular Weight | 193.220 g/mol |
| SMILES | OC(Cc1ccc(SC#N)cc1)=O |
| SPLASH | splash10-0006-0900000000-5c5818b9911bf7d2d176 |
| Source of Spectrum | D8-325-309-7 |
| Wiley ID | 1514411 |