| SpectraBase Compound ID | I4ZBvXWwd6q |
|---|---|
| InChI | InChI=1S/C24H32O8/c1-26-12-17(8-15-9-21(30-5)24-22(10-15)31-14-32-24)18(13-27-2)23(25)16-6-7-19(28-3)20(11-16)29-4/h6-7,9-11,17-18,23,25H,8,12-14H2,1-5H3/t17-,18-,23-/m0/s1 |
| InChIKey | UZBPYMBHWJYLKZ-BSRJHKFKSA-N |
| Mol Weight | 448.5 g/mol |
| Molecular Formula | C24H32O8 |
| Exact Mass | 448.209718 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H9RimSJlW9y |
|---|---|
| Name | Hydroxyniranthin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 448.209717982 u |
| Formula | C24H32O8 |
| InChI | InChI=1S/C24H32O8/c1-26-12-17(8-15-9-21(30-5)24-22(10-15)31-14-32-24)18(13-27-2)23(25)16-6-7-19(28-3)20(11-16)29-4/h6-7,9-11,17-18,23,25H,8,12-14H2,1-5H3/t17-,18-,23-/m0/s1 |
| InChIKey | UZBPYMBHWJYLKZ-BSRJHKFKSA-N |
| Molecular Weight | 448.512 g/mol |
| SMILES | C12=C(OCO2)C=C(C=C1OC)C[C@]([C@@]([C@](C=1C=C(OC)C(=CC1)OC)(O)[H])(COC)[H])(COC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980556 |