| SpectraBase Compound ID | KiF1XJjOFSG |
|---|---|
| InChI | InChI=1S/C22H33ClO7/c1-12(23)21(6,28)18(26)29-17-8-9-20(5)11-15(25)14(19(3,4)27)10-16(20)22(17,7)30-13(2)24/h10,12,16-17,27-28H,8-9,11H2,1-7H3/t12?,16?,17-,20-,21?,22+/m1/s1 |
| InChIKey | SOYOKDAJYCGEAL-RVZLHVLUSA-N |
| Mol Weight | 445.0 g/mol |
| Molecular Formula | C22H33ClO7 |
| Exact Mass | 444.191481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JBmuc8gT501 |
|---|---|
| Name | SOYOKDAJYCGEAL-RVZLHVLUSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33ClO7 |
| InChI | InChI=1S/C22H33ClO7/c1-12(23)21(6,28)18(26)29-17-8-9-20(5)11-15(25)14(19(3,4)27)10-16(20)22(17,7)30-13(2)24/h10,12,16-17,27-28H,8-9,11H2,1-7H3/t12?,16?,17-,20-,21?,22+/m1/s1 |
| InChIKey | SOYOKDAJYCGEAL-RVZLHVLUSA-N |
| Literature Reference Author | F.J.ARRIAGA,J.BORGES-DELCASTILLO |
| Literature Reference Citation | MAGN.RES.CHEM.,23,487(1985) |
| Literature Reference DOI | 10.1002/mrc.1260230618 |
| Molecular Weight | 444.953 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS11320 |