| SpectraBase Compound ID | GZkLjaNwiSF |
|---|---|
| InChI | InChI=1S/C24H39ClO6/c1-15(26)29-13-19(25)24(28,14-30-16(2)27)20-12-18-22(5)10-7-9-21(3,4)17(22)8-11-23(18,6)31-20/h17-20,28H,7-14H2,1-6H3/t17-,18+,19-,20-,22-,23+,24+/m0/s1 |
| InChIKey | ONIJFYCLXGXNAU-AKXRFRJLSA-N |
| Mol Weight | 459.0 g/mol |
| Molecular Formula | C24H39ClO6 |
| Exact Mass | 458.243517 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5PbhrKt6ly0 |
|---|---|
| Name | Chlorosilphanol-A-15,16-diacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.243516670 u |
| Formula | C24H39ClO6 |
| InChI | InChI=1S/C24H39ClO6/c1-15(26)29-13-19(25)24(28,14-30-16(2)27)20-12-18-22(5)10-7-9-21(3,4)17(22)8-11-23(18,6)31-20/h17-20,28H,7-14H2,1-6H3/t17-,18+,19-,20-,22-,23+,24+/m0/s1 |
| InChIKey | ONIJFYCLXGXNAU-AKXRFRJLSA-N |
| Molecular Weight | 459.023 g/mol |
| SMILES | [C@]12(O[C@@](C[C@@]2([C@@]2([C@](C(C)(C)CCC2)(CC1)[H])C)[H])([C@@](COC(=O)C)([C@](COC(=O)C)(Cl)[H])O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975585 |