| SpectraBase Compound ID | CraD042OzEK |
|---|---|
| InChI | InChI=1S/C16H21NO6S/c1-16(2)21-13(9-17)15(22-16)14(23-24(3,18)19)11-20-10-12-7-5-4-6-8-12/h4-8,13-15H,10-11H2,1-3H3/t13-,14-,15-/m1/s1 |
| InChIKey | MFQXHYSFIBIJCQ-RBSFLKMASA-N |
| Mol Weight | 355.41 g/mol |
| Molecular Formula | C16H21NO6S |
| Exact Mass | 355.108959 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BSjv9eC1v64 |
|---|---|
| Name | 5-O-Benzyl-2,3-O-isopropylidene-4-O-(methylsulfonyl)-D-lyxononitrile |
| Alternate Name(s) | (1R)-2-(benzyloxy)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl methanesulfonate Methanesulfonic acid[(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethyl]ester Methanesulfonic acid[(1R)-2-benzoxy-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]ester [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-ethyl]methanesulfonate Methanesulfonic acid [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethyl] ester [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethyl] methanesulfonate [(1R)-2-benzyloxy-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] methanesulfonate [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-ethyl] methanesulfonate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H21NO6S |
| InChI | InChI=1S/C16H21NO6S/c1-16(2)21-13(9-17)15(22-16)14(23-24(3,18)19)11-20-10-12-7-5-4-6-8-12/h4-8,13-15H,10-11H2,1-3H3/t13-,14-,15-/m1/s1 |
| InChIKey | MFQXHYSFIBIJCQ-RBSFLKMASA-N |
| Molecular Weight | 355.405 g/mol |
| SMILES | C([C@]1(OC(O[C@]1([C@](OS(=O)(=O)C)(COCc1ccccc1)[H])[H])(C)C)[H])#N |
| SPLASH | splash10-0006-9001000000-b94ad424344902be65d3 |
| Source of Spectrum | F-69-8443-36 |
| Wiley ID | 1595854 |