| SpectraBase Compound ID | 9f9Nk0KS2fm |
|---|---|
| InChI | InChI=1S/C20H14O8/c21-8-4-5-11-15-13(8)16(24)17-18(25-17)20(15)27-10-3-1-2-7-9(22)6-12(23)19(26-11,28-20)14(7)10/h1-5,12,16-18,21,23-24H,6H2/t12-,16-,17-,18-,19-,20+/m1/s1 |
| InChIKey | BCPICRNXIKGDCQ-BNRPUBERSA-N |
| Mol Weight | 382.32 g/mol |
| Molecular Formula | C20H14O8 |
| Exact Mass | 382.068867 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CuxdS3PsQas |
|---|---|
| Name | Ymf_1029C |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.068867403 u |
| Formula | C20H14O8 |
| InChI | InChI=1S/C20H14O8/c21-8-4-5-11-15-13(8)16(24)17-18(25-17)20(15)27-10-3-1-2-7-9(22)6-12(23)19(26-11,28-20)14(7)10/h1-5,12,16-18,21,23-24H,6H2/t12-,16-,17-,18-,19-,20+/m1/s1 |
| InChIKey | BCPICRNXIKGDCQ-BNRPUBERSA-N |
| Molecular Weight | 382.324 g/mol |
| SMILES | [C@@]1(O)([C@@]2([C@@](O2)([C@]23C=4C1=C(C=CC4O[C@]1(O2)C2=C(O3)C=CC=C2C(=O)C[C@]1(O)[H])O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82639 |