| SpectraBase Compound ID | 2D1erMEjwSw |
|---|---|
| InChI | InChI=1S/C18H21N3S/c1-22-18(21-16-5-3-2-4-15(16)19-20-21)17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10H2,1H3/b18-17-/t11-,12+,13-,14+ |
| InChIKey | PCMQEDPGNXBCKR-SKOUBFMCSA-N |
| Mol Weight | 311.45 g/mol |
| Molecular Formula | C18H21N3S |
| Exact Mass | 311.145619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kxHOUoFIoC |
|---|---|
| Name | 1-ADAMANTYLIDENE-METHANE-SULPHINYL-METHYL-1H-BENZOTRIAZOLE |
| Compound Number | 4A8 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C18H21N3S/c1-22-18(21-16-5-3-2-4-15(16)19-20-21)17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14H,6-10H2,1H3/b18-17-/t11-,12+,13-,14+ |
| InChIKey | PCMQEDPGNXBCKR-SKOUBFMCSA-N |
| Literature Reference | A.P.JOHNSON,J.K.DUTTON,D.P.M.PLEYNET HETEROCYCLES,37,1913(1994) |
| Solvent | Chloroform-d |