| SpectraBase Compound ID | 1t2ZXcchSQd |
|---|---|
| InChI | InChI=1S/C13H15N3S/c1-10(2)9-17-13-15-14-11(3)16(13)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3 |
| InChIKey | TXDOSLDDEBEGSQ-UHFFFAOYSA-N |
| Mol Weight | 245.34 g/mol |
| Molecular Formula | C13H15N3S |
| Exact Mass | 245.098669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JFZv6Bns6Z |
|---|---|
| Name | 1,2,4-Triazole, 3-(2-methyl-2-propenyl)thio-5-methyl-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.098668669 u |
| Formula | C13H15N3S |
| InChI | InChI=1S/C13H15N3S/c1-10(2)9-17-13-15-14-11(3)16(13)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3 |
| InChIKey | TXDOSLDDEBEGSQ-UHFFFAOYSA-N |
| Molecular Weight | 245.344 g/mol |
| SMILES | C=1(N(C(C)=NN1)C1=CC=CC=C1)SCC(C)=C |