| 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 | GKExxd02oAD |
|---|---|
| Name | PHENYLISOCYANATE |
| CAS Registry Number | 103-71-9 |
| Copyright | Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass | 119.037113784 u |
| Formula | C7H5NO |
| InChI | InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| InChIKey | DGTNSSLYPYDJGL-UHFFFAOYSA-N |
| Molecular Weight | 119.123 g/mol |
| Nominal Mass | 119 u |
| Number of Peaks | 29 |
| SMILES | c1(N=C=O)ccccc1 |
| SPLASH | splash10-00kf-9300000000-94d7c715f1c5064e0823 |
| Source of Spectrum | Dr. Rolf Kuehnle |
| Synonyms | isocyanatobenzene |
| Technique | GC/MS |
| Wiley ID | WID_MSPA_3467 |