| SpectraBase Compound ID | 4GjxYRFzQrp |
|---|---|
| InChI | InChI=1S/C9H10N2S/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,5-6,10H2 |
| InChIKey | RUMWFRPHRVORID-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C9H10N2S |
| Exact Mass | 178.05647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6TXPThrbbo8 |
|---|---|
| Name | 4-((2-Aminoethyl)thio)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10N2S |
| InChI | InChI=1S/C9H10N2S/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,5-6,10H2 |
| InChIKey | RUMWFRPHRVORID-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.6b00208 |
| Molecular Weight | 178.253 g/mol |
| SMILES | NCCSc1ccc(C#N)cc1 |
| SPLASH | splash10-002b-1900000000-79dddefacd5d74ca9c58 |
| Source of Spectrum | A1-18-876/SM17-3e |
| Wiley ID | 1805247 |