![.alpha.-(1'-Methylethyl)-3-[N-methyl-S-(phenylsulfonimidoyl)methylene}]cyclohexylmethyl carbamate](/api/spectrum/FtH9JSS6732/structure.png?h=300&w=458 ".alpha.-(1'-Methylethyl)-3-[N-methyl-S-(phenylsulfonimidoyl)methylene}]cyclohexylmethyl carbamate")
| SpectraBase Compound ID | 8Ve0y4eTIpB |
|---|---|
| InChI | InChI=1S/C19H28N2O3S/c1-14(2)18(24-19(20)22)17-12-8-7-9-15(17)13-25(23,21-3)16-10-5-4-6-11-16/h4-6,10-11,13-14,17-18H,7-9,12H2,1-3H3,(H2,20,22)/b15-13+/t17-,18+,25?/m1/s1 |
| InChIKey | QKLXVYMXFHRJBY-IDXPJQIKSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C19H28N2O3S |
| Exact Mass | 364.182064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtH9JSS6732 |
|---|---|
| Name | .alpha.-(1'-Methylethyl)-3-[N-methyl-S-(phenylsulfonimidoyl)methylene}]cyclohexylmethyl carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.182063941 u |
| Formula | C19H28N2O3S |
| InChI | InChI=1S/C19H28N2O3S/c1-14(2)18(24-19(20)22)17-12-8-7-9-15(17)13-25(23,21-3)16-10-5-4-6-11-16/h4-6,10-11,13-14,17-18H,7-9,12H2,1-3H3,(H2,20,22)/b15-13+/t17-,18+,25?/m1/s1 |
| InChIKey | QKLXVYMXFHRJBY-IDXPJQIKSA-N |
| Molecular Weight | 364.504 g/mol |
| SMILES | [C@@]1(\C(=C\S(=NC)(=O)C=2C=CC=CC2)CCCC1)([C@@](OC(=O)N)(C(C)C)[H])[H] |