| SpectraBase Compound ID | 7FziyHKVkhf |
|---|---|
| InChI | InChI=1S/C13H12ClN3S/c14-11-2-1-3-12(8-11)17-13(18)16-9-10-4-6-15-7-5-10/h1-8H,9H2,(H2,16,17,18) |
| InChIKey | RSAQNNSTBCFCBU-UHFFFAOYSA-N |
| Mol Weight | 277.77 g/mol |
| Molecular Formula | C13H12ClN3S |
| Exact Mass | 277.044046 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | W36qrwmwq |
|---|---|
| Name | 1-(3-Chlorophenyl)-3-(pyridin-4-ylmethyl)thiourea |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12ClN3S |
| InChI | InChI=1S/C13H12ClN3S/c14-11-2-1-3-12(8-11)17-13(18)16-9-10-4-6-15-7-5-10/h1-8H,9H2,(H2,16,17,18) |
| InChIKey | RSAQNNSTBCFCBU-UHFFFAOYSA-N |
| Molecular Weight | 277.773 g/mol |
| SMILES | N(C(=S)NCc1ccncc1)c1cc(Cl)ccc1 |
| SPLASH | splash10-002f-1690000000-6189a3a4e55491f553c8 |
| Source of Spectrum | EMC-74-321-21 |
| Wiley ID | 1739929 |