| SpectraBase Compound ID | AeoftugdLNL |
|---|---|
| InChI | InChI=1S/C16H19NO6/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-8-17/h3-6,9,13-16,19-20H,7H2,1-2H3/t9-,13-,14+,15-,16-/m0/s1 |
| InChIKey | QSGQMXJNFWYWMM-QOYUQHOESA-N |
| Mol Weight | 321.33 g/mol |
| Molecular Formula | C16H19NO6 |
| Exact Mass | 321.121237 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CoCRIUs73C |
|---|---|
| Name | Niazirinin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19NO6 |
| InChI | InChI=1S/C16H19NO6/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-8-17/h3-6,9,13-16,19-20H,7H2,1-2H3/t9-,13-,14+,15-,16-/m0/s1 |
| InChIKey | QSGQMXJNFWYWMM-QOYUQHOESA-N |
| Molecular Weight | 321.329 g/mol |
| SMILES | O[C@@]1([C@]([C@@](O[C@]([C@@]1(O)[H])(Oc1ccc(cc1)CC#N)[H])(C)[H])(OC(=O)C)[H])[H] |
| SPLASH | splash10-002u-2900000000-9dc79e47ee429d64e47c |
| Source of Spectrum | X2-57-1260-2 |
| Synonyms | Acetic acid [(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyl-3-oxanyl] ester [(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate [(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] acetate [(2S,3R,4S,5R,6S)-6-[4-(cyanomethyl)phenoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] ethanoate |
| Wiley ID | 1605625 |