| SpectraBase Compound ID | A32D6XCKRcL |
|---|---|
| InChI | InChI=1S/C23H26O10/c1-13(24)32-16-6-4-15(5-7-16)8-9-29-19-12-30-20(26)10-17-18(22(27)28-3)11-31-23(21(17)19)33-14(2)25/h4-7,11,17,19,21,23H,8-10,12H2,1-3H3/t17-,19-,21+,23+/m1/s1 |
| InChIKey | UXAOKYCTPTUVAN-YZBYQZESSA-N |
| Mol Weight | 462.45 g/mol |
| Molecular Formula | C23H26O10 |
| Exact Mass | 462.152597 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AgAvRqonNpQ |
|---|---|
| Name | Jasmolactone-A-diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.152597027 u |
| Formula | C23H26O10 |
| InChI | InChI=1S/C23H26O10/c1-13(24)32-16-6-4-15(5-7-16)8-9-29-19-12-30-20(26)10-17-18(22(27)28-3)11-31-23(21(17)19)33-14(2)25/h4-7,11,17,19,21,23H,8-10,12H2,1-3H3/t17-,19-,21+,23+/m1/s1 |
| InChIKey | UXAOKYCTPTUVAN-YZBYQZESSA-N |
| Molecular Weight | 462.451 g/mol |
| SMILES | [C@@]1(OC=C([C@@]2([C@]1([C@@](COC(C2)=O)(OCCC1=CC=C(OC(=O)C)C=C1)[H])[H])[H])C(=O)OC)(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849 |