| SpectraBase Compound ID | 4KGayAJfqzk |
|---|---|
| InChI | InChI=1S/C32H45ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28-29,37,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,29?,31+,32+/m1/s1 |
| InChIKey | JGLAQZQEXXCEGG-CRQUMGRWSA-N |
| Mol Weight | 637.2 g/mol |
| Molecular Formula | C32H45ClN2O9 |
| Exact Mass | 636.281359 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EpHu4EIdL6x |
|---|---|
| Name | AP-3-HEMIACETAL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45ClN2O9 |
| InChI | InChI=1S/C32H45ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28-29,37,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,29?,31+,32+/m1/s1 |
| InChIKey | JGLAQZQEXXCEGG-CRQUMGRWSA-N |
| Literature Reference Author | N.L.SEGRAVES,D.YAZZIE,A.J.DEESE |
| Literature Reference Citation | MAGN.RES.CHEM.,50,256(2012) |
| Literature Reference DOI | 10.1002/mrc.2876 |
| Molecular Weight | 637.170 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT16150 |