| SpectraBase Compound ID | HiQmcHe0T3h |
|---|---|
| InChI | InChI=1S/C26H35BrO10/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)6-7-26(12-33-26)23-20(37-23)9-25(21,31)11-27/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 | MUSBOMPLKMYQME-SWTLHKLFSA-N |
| Mol Weight | 587.5 g/mol |
| Molecular Formula | C26H35BrO10 |
| Exact Mass | 586.14136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CxJpZ3TJEYH |
|---|---|
| Name | Havanna-bromhydrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H35BrO10 |
| InChI | InChI=1S/C26H35BrO10/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)6-7-26(12-33-26)23-20(37-23)9-25(21,31)11-27/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 | MUSBOMPLKMYQME-SWTLHKLFSA-N |
| Molecular Weight | 587.460 g/mol |
| SMILES | O[C@@]1([C@@]2([C@](OC=C([C@@]2(CC[C@@]2([C@]3(OC3C1)[H])OC2)[H])C([C@](C=C(C)C)(OC(=O)C)[H])OC(=O)C)(OC(=O)C)[H])[H])CBr |
| SPLASH | splash10-066r-0000910000-074789d1e14bef060416 |
| Source of Spectrum | X2-51-288-3 |
| Wiley ID | 1602599 |