| SpectraBase Compound ID | L4J9Llo1d54 |
|---|---|
| InChI | InChI=1S/C13H13N3OS/c1-3-9-16(10(2)17)13-15-14-12(18-13)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3 |
| InChIKey | VTJPFOQHCCMTQK-UHFFFAOYSA-N |
| Mol Weight | 259.33 g/mol |
| Molecular Formula | C13H13N3OS |
| Exact Mass | 259.077933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmsHQkJ231v |
|---|---|
| Name | N-Allyl-5-phenyl-1,3,4-thiadiazol-2-amine, 1ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.077933224 u |
| Formula | C13H13N3OS |
| InChI | InChI=1S/C13H13N3OS/c1-3-9-16(10(2)17)13-15-14-12(18-13)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3 |
| InChIKey | VTJPFOQHCCMTQK-UHFFFAOYSA-N |
| Molecular Weight | 259.327 g/mol |
| SMILES | C=1(SC(=NN1)C1=CC=CC=C1)N(CC=C)C(C)=O |