![[Isothiocyanato(phenyl)methyl]benzene](/api/spectrum/4lUzHWZTm0c/structure.png?h=300&w=458 "[Isothiocyanato(phenyl)methyl]benzene")
| SpectraBase Compound ID | FewFeFcfcID |
|---|---|
| InChI | InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H |
| InChIKey | WDOSFTZMBFYTED-UHFFFAOYSA-N |
| Mol Weight | 225.31 g/mol |
| Molecular Formula | C14H11NS |
| Exact Mass | 225.061221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4lUzHWZTm0c |
|---|---|
| Name | [Isothiocyanato(phenyl)methyl]benzene |
| Alternate Name(s) | Benzhydryl isothiocyanate |
| CAS Registry Number | 3550-21-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H11NS |
| InChI | InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H |
| InChIKey | WDOSFTZMBFYTED-UHFFFAOYSA-N |
| Molecular Weight | 225.309 g/mol |
| SMILES | c1ccc(cc1)C(c1ccccc1)N=C=S |
| SPLASH | splash10-014i-2900000000-8a3fd793f26a37323605 |
| Wiley ID | 1462202 |