S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_1...
Dataset description:
This dataset contains NMR spectra obtained for the sample -S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4 date: 2021-07-11T06:58:44.000Z isFt: true name:...
Source: S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
Chemical Info
| InChI | InChI=1S/C23H35BrO5/c1-13(25)28-15-7-10-22(4)18-8-9-21(3)17(5-6-20(21)29-14(2)26)16(18)11-19(27)23(22,24)12-15/h15-20,27H,5-12H2,1-4H3 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C)C3CCC4(C)C(OC(C)=O)CCC4C3CC(O)C2(Br)C1 |
| InChI Key | QUFXCTFKQBQMQC-UHFFFAOYSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International |
| Id | fb180b19-2b2d-4f6f-92f4-7db564f29c10 |
| Package id | nmrxiv-d2992 |
| Resource type | HTML |
| State | active |