| SpectraBase Compound ID | Kx47wyhaohd |
|---|---|
| InChI | InChI=1S/C23H28O8/c1-11(2)20(25)30-18-17-14(6)22(27)29-15(17)10-13(5)8-9-16(24)23(7,28)19(18)31-21(26)12(3)4/h8-9,13,15,17-19,28H,1,3,6,10H2,2,4-5,7H3/b9-8-/t13?,15-,17?,18-,19-,23+/m1/s1 |
| InChIKey | TXWWBAZJPNQNMZ-NJDNSXOLSA-N |
| Mol Weight | 432.47 g/mol |
| Molecular Formula | C23H28O8 |
| Exact Mass | 432.178418 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNhjyx0uTeR |
|---|---|
| Name | Juanislamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.178417854 u |
| Formula | C23H28O8 |
| InChI | InChI=1S/C23H28O8/c1-11(2)20(25)30-18-17-14(6)22(27)29-15(17)10-13(5)8-9-16(24)23(7,28)19(18)31-21(26)12(3)4/h8-9,13,15,17-19,28H,1,3,6,10H2,2,4-5,7H3/b9-8-/t13?,15-,17?,18-,19-,23+/m1/s1 |
| InChIKey | TXWWBAZJPNQNMZ-NJDNSXOLSA-N |
| Molecular Weight | 432.469 g/mol |
| SMILES | [C@@]1([C@@](C2C(C(=O)O[C@@]2(CC(\C=C/C([C@@]1(O)C)=O)C)[H])=C)(OC(C(=C)C)=O)[H])(OC(C(=C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845737 |