| SpectraBase Compound ID | CA01WWIpSPG |
|---|---|
| InChI | InChI=1S/C26H36Cl2O10/c1-13(2)8-19(35-14(3)29)22(36-15(4)30)18-10-34-24(37-16(5)31)21-17(18)6-7-25(32,11-27)23-20(38-23)9-26(21,33)12-28/h8,10,17,19-24,32-33H,6-7,9,11-12H2,1-5H3/t17-,19-,20?,21-,22?,23-,24+,25+,26+/m0/s1 |
| InChIKey | NLALWPMOIJEHSQ-SWTLHKLFSA-N |
| Mol Weight | 579.5 g/mol |
| Molecular Formula | C26H36Cl2O10 |
| Exact Mass | 578.168553 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Zqz4YHWQ9c |
|---|---|
| Name | 7(18),11(19)-Havanna-dichlorhydrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36Cl2O10 |
| InChI | InChI=1S/C26H36Cl2O10/c1-13(2)8-19(35-14(3)29)22(36-15(4)30)18-10-34-24(37-16(5)31)21-17(18)6-7-25(32,11-27)23-20(38-23)9-26(21,33)12-28/h8,10,17,19-24,32-33H,6-7,9,11-12H2,1-5H3/t17-,19-,20?,21-,22?,23-,24+,25+,26+/m0/s1 |
| InChIKey | NLALWPMOIJEHSQ-SWTLHKLFSA-N |
| Molecular Weight | 579.470 g/mol |
| SMILES | O[C@]1(CC2O[C@@]2([C@](CC[C@@]2([C@]1([C@](OC=C2C([C@](C=C(C)C)(OC(=O)C)[H])OC(=O)C)(OC(=O)C)[H])[H])[H])(O)CCl)[H])CCl |
| SPLASH | splash10-0f6t-0029700000-d0e137c7af4bbb394cb3 |
| Source of Spectrum | X2-51-287-5 |
| Wiley ID | 1602600 |