| SpectraBase Compound ID | B4NGVlSxcsc |
|---|---|
| InChI | InChI=1S/C23H22O7/c1-23(2)22(27)20-17(30-23)11-29-16-10-15(28-3)18(21(26)19(16)20)14(25)9-13(24)12-7-5-4-6-8-12/h4-8,10,17,20,26H,9,11H2,1-3H3/t17-,20-/m0/s1 |
| InChIKey | IQNLSPNVPRYJBX-PXNSSMCTSA-N |
| Mol Weight | 410.42 g/mol |
| Molecular Formula | C23H22O7 |
| Exact Mass | 410.136553 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8JS90K6ELzE |
|---|---|
| Name | Stachyoidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.136553041 u |
| Formula | C23H22O7 |
| InChI | InChI=1S/C23H22O7/c1-23(2)22(27)20-17(30-23)11-29-16-10-15(28-3)18(21(26)19(16)20)14(25)9-13(24)12-7-5-4-6-8-12/h4-8,10,17,20,26H,9,11H2,1-3H3/t17-,20-/m0/s1 |
| InChIKey | IQNLSPNVPRYJBX-PXNSSMCTSA-N |
| Molecular Weight | 410.422 g/mol |
| SMILES | C=12[C@]3(C(C(C)(C)O[C@@]3([H])COC1C=C(OC)C(=C2O)C(CC(=O)C1=CC=CC=C1)=O)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925482 |