| SpectraBase Compound ID | 5uCQqv2hICy |
|---|---|
| InChI | InChI=1S/C22H33NO5S/c1-4-20(23-22(24)27-16-18-11-7-5-8-12-18)21(15-17(2)3)28-29(25,26)19-13-9-6-10-14-19/h5,7-8,11-12,19-21H,2,4,6,9-10,13-16H2,1,3H3,(H,23,24)/t20-,21-/m1/s1 |
| InChIKey | AVKIOJJHBZZTIZ-NHCUHLMSSA-N |
| Mol Weight | 423.6 g/mol |
| Molecular Formula | C22H33NO5S |
| Exact Mass | 423.207944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2b3C4ZyJyl3 |
|---|---|
| Name | (R,R)-5-Benzyloxycarbonylamino-2-methylhept-1-en-4-cyclohexyl sulfonate |
| Alternate Name(s) | (1R)-1-((1R)-1-{[(benzyloxy)carbonyl]amino}propyl)-3-methyl-3-butenyl cyclohexanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33NO5S |
| InChI | InChI=1S/C22H33NO5S/c1-4-20(23-22(24)27-16-18-11-7-5-8-12-18)21(15-17(2)3)28-29(25,26)19-13-9-6-10-14-19/h5,7-8,11-12,19-21H,2,4,6,9-10,13-16H2,1,3H3,(H,23,24)/t20-,21-/m1/s1 |
| InChIKey | AVKIOJJHBZZTIZ-NHCUHLMSSA-N |
| Molecular Weight | 423.568 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)[C@@]([C@](OS(=O)(=O)C1CCCCC1)(CC(=C)C)[H])(CC)[H] |
| SPLASH | splash10-0006-9330000000-9d280da29b6ab72fe4bd |
| Source of Spectrum | C5-2003-1867-10 |
| Wiley ID | 1615847 |