| SpectraBase Compound ID | EzqcbfIe5NT |
|---|---|
| InChI | InChI=1S/C11H15N3S.ClH/c1-3-15-11(12)14-13-8-10-6-4-5-9(2)7-10;/h4-8H,3H2,1-2H3,(H2,12,14);1H/b13-8+; |
| InChIKey | PHSHFSBTUPMTNW-FNXZNAJJSA-N |
| Mol Weight | 257.78 g/mol |
| Molecular Formula | C11H16ClN3S |
| Exact Mass | 257.075346 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I1PDxzUTEH3 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H16ClN3S |
| InChI | InChI=1S/C11H15N3S.ClH/c1-3-15-11(12)14-13-8-10-6-4-5-9(2)7-10;/h4-8H,3H2,1-2H3,(H2,12,14);1H/b13-8+; |
| InChIKey | PHSHFSBTUPMTNW-FNXZNAJJSA-N |
| Molecular Weight | 257.0751 |
| SMILES | Cl.N\C(SCC)=N\N=C\c1cc(C)ccc1 |
| SPLASH | splash10-01b9-8920000000-9bb62d24924ef3ea910d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |