| SpectraBase Compound ID | 7UH0xk3EmgU |
|---|---|
| InChI | InChI=1S/C26H35ClO10/c1-13(2)8-19(34-14(3)28)22(35-15(4)29)18-10-32-24(36-16(5)30)21-17(18)6-7-25(31,11-27)23-20(37-23)9-26(21)12-33-26/h8,10,17,19-24,31H,6-7,9,11-12H2,1-5H3/t17?,19-,20?,21?,22?,23-,24+,25+,26+/m0/s1 |
| InChIKey | JXKRJDCCZLDCBM-FGUJMOLRSA-N |
| Mol Weight | 543.0 g/mol |
| Molecular Formula | C26H35ClO10 |
| Exact Mass | 542.191875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1hsfbaWlMxI |
|---|---|
| Name | 7(18)-Havanna-chlorhydrine |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H35ClO10 |
| InChI | InChI=1S/C26H35ClO10/c1-13(2)8-19(34-14(3)28)22(35-15(4)29)18-10-32-24(36-16(5)30)21-17(18)6-7-25(31,11-27)23-20(37-23)9-26(21)12-33-26/h8,10,17,19-24,31H,6-7,9,11-12H2,1-5H3/t17?,19-,20?,21?,22?,23-,24+,25+,26+/m0/s1 |
| InChIKey | JXKRJDCCZLDCBM-FGUJMOLRSA-N |
| Molecular Weight | 543.009 g/mol |
| SMILES | O[C@@]1([C@@]2(C(O2)C[C@@]2(C3C(C(C([C@](C=C(C)C)(OC(=O)C)[H])OC(=O)C)=CO[C@@]3(OC(=O)C)[H])CC1)OC2)[H])CCl |
| SPLASH | splash10-01q9-0009700000-cc98ffc02f7d4d5a73a1 |
| Source of Spectrum | X2-51-291-4 |
| Wiley ID | 1602598 |