![8-CASCADE:ADIPIC-ACID-[2-1,8]:(1-AZABUTYLIDENE):(6-OXO-5-OXA-1-AZAOCTYLIDENE):PROPIONIC-ACID](/api/spectrum/LNCkiSC9DyW/structure.png?h=300&w=458 "8-CASCADE:ADIPIC-ACID-[2-1,8]:(1-AZABUTYLIDENE):(6-OXO-5-OXA-1-AZAOCTYLIDENE):PROPIONIC-ACID")
| SpectraBase Compound ID | AW9o9pQoBtx |
|---|---|
| InChI | InChI=1S/C60H100N6O28/c67-47(68)11-29-61(30-12-48(69)70)23-3-43-91-57(85)19-37-65(38-20-58(86)92-44-4-24-62(31-13-49(71)72)32-14-50(73)74)27-7-41-89-55(83)9-1-2-10-56(84)90-42-8-28-66(39-21-59(87)93-45-5-25-63(33-15-51(75)76)34-16-52(77)78)40-22-60(88)94-46-6-26-64(35-17-53(79)80)36-18-54(81)82/h1-46H2,(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82) |
| InChIKey | HJSLHDPCKQRWFD-UHFFFAOYSA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C60H100N6O28 |
| Exact Mass | 1352.658557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNCkiSC9DyW |
|---|---|
| Name | 8-CASCADE:ADIPIC-ACID-[2-1,8]:(1-AZABUTYLIDENE):(6-OXO-5-OXA-1-AZAOCTYLIDENE):PROPIONIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H100N6O28 |
| InChI | InChI=1S/C60H100N6O28/c67-47(68)11-29-61(30-12-48(69)70)23-3-43-91-57(85)19-37-65(38-20-58(86)92-44-4-24-62(31-13-49(71)72)32-14-50(73)74)27-7-41-89-55(83)9-1-2-10-56(84)90-42-8-28-66(39-21-59(87)93-45-5-25-63(33-15-51(75)76)34-16-52(77)78)40-22-60(88)94-46-6-26-64(35-17-53(79)80)36-18-54(81)82/h1-46H2,(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82) |
| InChIKey | HJSLHDPCKQRWFD-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 | 1353.477 g/mol |
| Sample ID | 72653 |
| Solvent | Unknown |