| SpectraBase Compound ID | HEwT06OvOSP |
|---|---|
| InChI | InChI=1S/C15H21N3S/c1-2-3-4-5-9-12-14-16-17-15(19)18(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,19) |
| InChIKey | TUQAKXMNDMTCFO-UHFFFAOYSA-N |
| Mol Weight | 275.41 g/mol |
| Molecular Formula | C15H21N3S |
| Exact Mass | 275.145619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ayy9zl2U8QQ |
|---|---|
| Name | 5-Heptyl-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.145618862 u |
| Formula | C15H21N3S |
| InChI | InChI=1S/C15H21N3S/c1-2-3-4-5-9-12-14-16-17-15(19)18(14)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,17,19) |
| InChIKey | TUQAKXMNDMTCFO-UHFFFAOYSA-N |
| SMILES | C=1(S)N(C(=NN1)CCCCCCC)C1=CC=CC=C1 |