| SpectraBase Compound ID | 2DG4arFan96 |
|---|---|
| InChI | InChI=1S/C9H7NO2S/c11-9(12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H,11,12) |
| InChIKey | YJHAFHMZBVQRFC-UHFFFAOYSA-N |
| Mol Weight | 193.22 g/mol |
| Molecular Formula | C9H7NO2S |
| Exact Mass | 193.01975 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9Z5oSWxmDA9 |
|---|---|
| Name | 4-Isothiocyanatomethyl-benzoic acid |
| CAS Registry Number | 35009-14-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO2S |
| InChI | InChI=1S/C9H7NO2S/c11-9(12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H,11,12) |
| InChIKey | YJHAFHMZBVQRFC-UHFFFAOYSA-N |
| Molecular Weight | 193.220 g/mol |
| SMILES | OC(=O)c1ccc(cc1)CN=C=S |
| SPLASH | splash10-000i-4900000000-30a134e8062a602ab6f8 |
| Wiley ID | 1460557 |