| SpectraBase Compound ID | 9LWNFY4q79C |
|---|---|
| InChI | InChI=1S/C9H6N2S/c12-6-11-9-3-1-2-8-7(9)4-5-10-8/h1-5,10H |
| InChIKey | ZYPJRWHQKBDUKD-UHFFFAOYSA-N |
| Mol Weight | 174.22 g/mol |
| Molecular Formula | C9H6N2S |
| Exact Mass | 174.025169 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8aom2p4YWOj |
|---|---|
| Name | 4-isothiocyano-1H-indole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6N2S |
| InChI | InChI=1S/C9H6N2S/c12-6-11-9-3-1-2-8-7(9)4-5-10-8/h1-5,10H |
| InChIKey | ZYPJRWHQKBDUKD-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 174.221 g/mol |
| SMILES | [nH]1c2cccc(c2cc1)N=C=S |
| SPLASH | splash10-00di-0900000000-97f4ca98114dafe09359 |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872683 |