![4-CASCADE:ETHYLENEDIAMINE-[4-N,N,N',N']:(6-OXO-5-OXA-1-AZAOCTYLIDENE):PROPIONIC-ACID](/api/spectrum/5D1YhXkFJzH/structure.png?h=300&w=458 "4-CASCADE:ETHYLENEDIAMINE-[4-N,N,N',N']:(6-OXO-5-OXA-1-AZAOCTYLIDENE):PROPIONIC-ACID")
| SpectraBase Compound ID | 5eRTZgobd3k |
|---|---|
| InChI | InChI=1S/C50H84N6O24/c57-39(58)5-21-51(22-6-40(59)60)17-1-35-77-47(73)13-29-55(30-14-48(74)78-36-2-18-52(23-7-41(61)62)24-8-42(63)64)33-34-56(31-15-49(75)79-37-3-19-53(25-9-43(65)66)26-10-44(67)68)32-16-50(76)80-38-4-20-54(27-11-45(69)70)28-12-46(71)72/h1-38H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72) |
| InChIKey | HQCHYGGZMKZPCM-UHFFFAOYSA-N |
| Mol Weight | 1153.2 g/mol |
| Molecular Formula | C50H84N6O24 |
| Exact Mass | 1152.553698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5D1YhXkFJzH |
|---|---|
| Name | 4-CASCADE:ETHYLENEDIAMINE-[4-N,N,N',N']:(6-OXO-5-OXA-1-AZAOCTYLIDENE):PROPIONIC-ACID |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84N6O24 |
| InChI | InChI=1S/C50H84N6O24/c57-39(58)5-21-51(22-6-40(59)60)17-1-35-77-47(73)13-29-55(30-14-48(74)78-36-2-18-52(23-7-41(61)62)24-8-42(63)64)33-34-56(31-15-49(75)79-37-3-19-53(25-9-43(65)66)26-10-44(67)68)32-16-50(76)80-38-4-20-54(27-11-45(69)70)28-12-46(71)72/h1-38H2,(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72) |
| InChIKey | HQCHYGGZMKZPCM-UHFFFAOYSA-N |
| Literature Reference Author | D.SOTO-CASTRO,J.A.CRUZ-MORALES,M.T.R.APAN,P.GUADARRAMA |
| Literature Reference Citation | MOLECULES,15,8082(2010) |
| Literature Reference DOI | 10.3390/molecules15118082 |
| Molecular Weight | 1153.243 g/mol |
| Sample ID | 72655 |
| Solvent | CD3OD:DMSO-D6 |