| SpectraBase Compound ID | EgoVQRpkXIL |
|---|---|
| InChI | InChI=1S/C14H20N4O2S/c1-12(2)8-6-7-11-21(19,20)14-15-16-17-18(14)13-9-4-3-5-10-13/h3-5,9-10,12H,6-8,11H2,1-2H3 |
| InChIKey | PJZHCVWSRXPXGF-UHFFFAOYSA-N |
| Mol Weight | 308.4 g/mol |
| Molecular Formula | C14H20N4O2S |
| Exact Mass | 308.130697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGrGtwP0mUL |
|---|---|
| Name | 5-(5'-Methylhexylsulfonyl)-1-phenyl-1H-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.130697072 u |
| Formula | C14H20N4O2S |
| InChI | InChI=1S/C14H20N4O2S/c1-12(2)8-6-7-11-21(19,20)14-15-16-17-18(14)13-9-4-3-5-10-13/h3-5,9-10,12H,6-8,11H2,1-2H3 |
| InChIKey | PJZHCVWSRXPXGF-UHFFFAOYSA-N |
| Molecular Weight | 308.400 g/mol |
| SMILES | C=1(N(N=NN1)C=1C=CC=CC1)S(=O)(=O)CCCCC(C)C |