| SpectraBase Compound ID | JOq1CcMGTHv |
|---|---|
| InChI | InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H |
| InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N |
| Mol Weight | 180.18 g/mol |
| Molecular Formula | C7H4N2O2S |
| Exact Mass | 179.999349 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7OzA17t8X1C |
|---|---|
| Name | 1-isothiocyanato-4-nitrobenzene |
| Appearance | Yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H4N2O2S |
| InChI | InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H |
| InChIKey | NXHSSIGRWJENBH-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 180.181 g/mol |
| SMILES | c1(ccc(cc1)[N+](=O)[O-])N=C=S |
| SPLASH | splash10-001i-1900000000-ce1dc73f7ff9e9a39b70 |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872682 |