| SpectraBase Compound ID | ENiGpwCrwyb |
|---|---|
| InChI | InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| InChIKey | DGTNSSLYPYDJGL-UHFFFAOYSA-N |
| Mol Weight | 119.12 g/mol |
| Molecular Formula | C7H5NO |
| Exact Mass | 119.037114 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2AIiRU0GrPz |
|---|---|
| Name | isocyanatobenzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H5NO |
| InChI | InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| InChIKey | DGTNSSLYPYDJGL-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/cjoc.202000072 |
| Molecular Weight | 119.123 g/mol |
| SMILES | c1ccc(cc1)N=C=O |
| SPLASH | splash10-02tc-9300000000-87bd255d1aabdede85b2 |
| Source of Spectrum | CJC-38-SM70-Fig. S122 |
| Wiley ID | 1856145 |