| SpectraBase Compound ID | 8SesCI7dG0t |
|---|---|
| InChI | InChI=1S/C22H33ClN2O2S/c1-19(2)16(23)9-12-22(5,27-19)15-7-10-20(3,25-13-28)14-8-11-21(4,26)18(24-6)17(14)15/h14-18,26H,7-12H2,1-5H3/t14-,15+,16?,17-,18+,20-,21+,22?/m1/s1 |
| InChIKey | VYCDMYBWKLWUHZ-OXZQFEFFSA-N |
| Mol Weight | 425.0 g/mol |
| Molecular Formula | C22H33ClN2O2S |
| Exact Mass | 424.195127 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I7GWG7Lstjy |
|---|---|
| Name | Kalihinol X |
| CAS Registry Number | 109979-17-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33ClN2O2S |
| InChI | InChI=1S/C22H33ClN2O2S/c1-19(2)16(23)9-12-22(5,27-19)15-7-10-20(3,25-13-28)14-8-11-21(4,26)18(24-6)17(14)15/h14-18,26H,7-12H2,1-5H3/t14-,15+,16?,17-,18+,20-,21+,22?/m1/s1 |
| InChIKey | VYCDMYBWKLWUHZ-OXZQFEFFSA-N |
| Molecular Weight | 425.031 g/mol |
| SMILES | O[C@@]1([C@]([C@]2([C@@](C3(OC(C)(C)C(CC3)Cl)C)(CC[C@]([C@@]2(CC1)[H])(N=C=S)C)[H])[H])([N+]#[C-])[H])C |
| SPLASH | splash10-08fu-7911000000-0e54c22ea3bb16ab9719 |
| Source of Spectrum | C-109-6123-5 |
| Wiley ID | 1379237 |