![5-[(E)-2-Carboxyethenyl]-2-(1-normon-2-yl)oxazole](/api/spectrum/CHrEP5Fgflf/structure.png?h=300&w=458 "5-[(E)-2-Carboxyethenyl]-2-(1-normon-2-yl)oxazole")
| SpectraBase Compound ID | BlP0U7C3gds |
|---|---|
| InChI | InChI=1S/C22H31NO8/c1-11(7-18-23-9-15(30-18)4-5-19(25)26)6-16-21(28)20(27)14(10-29-16)8-17-22(31-17)12(2)13(3)24/h4-5,7,9,12-14,16-17,20-22,24,27-28H,6,8,10H2,1-3H3,(H,25,26)/b5-4+,11-7+/t12-,13-,14-,16?,17-,20+,21-,22-/m0/s1 |
| InChIKey | KDDDSJCEEINOIF-DHBVKEAHSA-N |
| Mol Weight | 437.49 g/mol |
| Molecular Formula | C22H31NO8 |
| Exact Mass | 437.204967 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CHrEP5Fgflf |
|---|---|
| Name | 5-[(E)-2-Carboxyethenyl]-2-(1-normon-2-yl)oxazole |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31NO8 |
| InChI | InChI=1S/C22H31NO8/c1-11(7-18-23-9-15(30-18)4-5-19(25)26)6-16-21(28)20(27)14(10-29-16)8-17-22(31-17)12(2)13(3)24/h4-5,7,9,12-14,16-17,20-22,24,27-28H,6,8,10H2,1-3H3,(H,25,26)/b5-4+,11-7+/t12-,13-,14-,16?,17-,20+,21-,22-/m0/s1 |
| InChIKey | KDDDSJCEEINOIF-DHBVKEAHSA-N |
| Molecular Weight | 437.489 g/mol |
| SMILES | O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(COC([C@@]([C@@]1(O)[H])(O)[H])C\C(=C\c1ncc(o1)\C=C\C(=O)O)C)[H])[H])[H])(C)[H])(C)[H] |
| SPLASH | splash10-0006-0900100000-68f9379751d9d1cdb0c5 |
| Source of Spectrum | E1-39-453-2 |
| Wiley ID | 1598683 |