| SpectraBase Compound ID | JLDyd1sSM2a |
|---|---|
| InChI | InChI=1S/C12H16ClN3SSi/c1-18(2,3)17-12-15-14-9-16(12)8-10-4-6-11(13)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey | ICKXEMYNKAJEQO-UHFFFAOYSA-N |
| Mol Weight | 297.88 g/mol |
| Molecular Formula | C12H16ClN3SSi |
| Exact Mass | 297.052273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AxsQAUEpTpD |
|---|---|
| Name | 4-(4-Chlorobenzyl)-4H-1,2,4-triazol-3-yl hydrosulfide, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.052272936 u |
| Formula | C12H16ClN3SSi |
| InChI | InChI=1S/C12H16ClN3SSi/c1-18(2,3)17-12-15-14-9-16(12)8-10-4-6-11(13)7-5-10/h4-7,9H,8H2,1-3H3 |
| InChIKey | ICKXEMYNKAJEQO-UHFFFAOYSA-N |
| Molecular Weight | 297.879 g/mol |
| SMILES | C(N1C(S[Si](C)(C)C)=NN=C1)C1=CC=C(C=C1)Cl |