| SpectraBase Compound ID | 6ElNI7xLvu |
|---|---|
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3 |
| InChIKey | WIZODHILGBTPPA-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 | JAaYJ3Q1unl |
|---|---|
| Name | methyl 4-isothiocyanatobenzoate |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO2S |
| InChI | InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3 |
| InChIKey | WIZODHILGBTPPA-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 193.220 g/mol |
| SMILES | C(c1ccc(cc1)N=C=S)(=O)OC |
| SPLASH | splash10-03dl-0900000000-6d672c01d8b96c37725b |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872679 |