| SpectraBase Compound ID | 7RxfOYweQX3 |
|---|---|
| InChI | InChI=1S/C18H17N3S/c1-21-17(16-12-6-3-7-13-16)19-20-18(21)22-14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+ |
| InChIKey | ITRXXAIDRFOLAH-DHZHZOJOSA-N |
| Mol Weight | 307.42 g/mol |
| Molecular Formula | C18H17N3S |
| Exact Mass | 307.114319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0DSeoVY2IM |
|---|---|
| Name | 4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl (2E)-3-phenyl-2-propenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.114318733 u |
| Formula | C18H17N3S |
| InChI | InChI=1S/C18H17N3S/c1-21-17(16-12-6-3-7-13-16)19-20-18(21)22-14-8-11-15-9-4-2-5-10-15/h2-13H,14H2,1H3/b11-8+ |
| InChIKey | ITRXXAIDRFOLAH-DHZHZOJOSA-N |
| SMILES | C1=CC=C(\C=C\CSC=2N(C(=NN2)C=2C=CC=CC2)C)C=C1 |