| SpectraBase Compound ID | 3c8Hk5ZNxz9 |
|---|---|
| InChI | InChI=1S/C35H48Cl2N2O7/c1-3-4-5-9-23-42-35-31(38-25(2)40)33(32-29(44-35)24-43-34(46-32)27-12-7-6-8-13-27)45-30(41)14-10-11-26-15-17-28(18-16-26)39(21-19-36)22-20-37/h6-8,12-13,15-18,29,31-35H,3-5,9-11,14,19-24H2,1-2H3,(H,38,40)/t29-,31-,32-,33-,34-,35-/m0/s1 |
| InChIKey | BPHGKEJSIXTARH-LXOXETEGSA-N |
| Mol Weight | 679.7 g/mol |
| Molecular Formula | C35H48Cl2N2O7 |
| Exact Mass | 678.283857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OF1zORFO1S |
|---|---|
| Name | 1-HEXYL-DERIVATIVE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48Cl2N2O7 |
| InChI | InChI=1S/C35H48Cl2N2O7/c1-3-4-5-9-23-42-35-31(38-25(2)40)33(32-29(44-35)24-43-34(46-32)27-12-7-6-8-13-27)45-30(41)14-10-11-26-15-17-28(18-16-26)39(21-19-36)22-20-37/h6-8,12-13,15-18,29,31-35H,3-5,9-11,14,19-24H2,1-2H3,(H,38,40)/t29-,31-,32-,33-,34-,35-/m0/s1 |
| InChIKey | BPHGKEJSIXTARH-LXOXETEGSA-N |
| Literature Reference Author | F.IGLESIAS-GUERRA,J.I.CANDELA,J.BAUTISTA,F.ALCUDIA,J.M.VEGA- PEREZ |
| Literature Reference Citation | CARBOHYDR.RES.,316,71(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00030-0 |
| Molecular Weight | 679.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMP15094 |