| SpectraBase Compound ID | IsoXHJv7Eva |
|---|---|
| InChI | InChI=1S/C22H31BrO5/c1-12(24)28-17-13-8-20(4,5)16(23)15(25)14(13)22(18(26)27-7)10-19(2,3)9-21(17,6)11-22/h16-17H,8-11H2,1-7H3/t16-,17-,21-,22-/m0/s1 |
| InChIKey | SKIVWPBLXAUGQZ-FHQLIMNDSA-N |
| Mol Weight | 455.39 g/mol |
| Molecular Formula | C22H31BrO5 |
| Exact Mass | 454.135487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32SoMf5sdJN |
|---|---|
| Name | 8-ACETOXY-4-ALPHA-BROMO-1-METHOXYCARBONYL-DIISOPHOR-2(7)-EN-3-ONE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31BrO5 |
| InChI | InChI=1S/C22H31BrO5/c1-12(24)28-17-13-8-20(4,5)16(23)15(25)14(13)22(18(26)27-7)10-19(2,3)9-21(17,6)11-22/h16-17H,8-11H2,1-7H3/t16-,17-,21-,22-/m0/s1 |
| InChIKey | SKIVWPBLXAUGQZ-FHQLIMNDSA-N |
| Literature Reference Author | F.KURZER,J.N.PATEL |
| Literature Reference Citation | MH.CHEM.,118,793(1987) |
| Literature Reference DOI | 10.1007/BF00809230 |
| Molecular Weight | 455.389 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED9685 |