![3-(7-CYCLOHEXYL-(2-E,4-E,6-E)-[1,2-(13)-C2]-HEPTA-2,4,6-TRIENOYL)-[(15)-N]-AMINO-4-METHOXYBENZOIC_ACID](/api/spectrum/LTB5EOFvpf5/structure.png?h=300&w=458 "3-(7-CYCLOHEXYL-(2-E,4-E,6-E)-[1,2-(13)-C2]-HEPTA-2,4,6-TRIENOYL)-[(15)-N]-AMINO-4-METHOXYBENZOIC_ACID")
| SpectraBase Compound ID | IoAls26h0s7 |
|---|---|
| InChI | InChI=1S/C21H25NO4/c1-26-19-14-13-17(21(24)25)15-18(19)22-20(23)12-8-3-2-5-9-16-10-6-4-7-11-16/h2-3,5,8-9,12-16H,4,6-7,10-11H2,1H3,(H,22,23)(H,24,25)/b3-2+,9-5+,12-8+/i12+1,20+1,22+1 |
| InChIKey | ASQJSSVQADGTPF-ZNBKXYAJSA-N |
| Mol Weight | 358.41 g/mol |
| Molecular Formula | C1913C2H2515NO4 |
| Exact Mass | 358.182103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTB5EOFvpf5 |
|---|---|
| Name | 3-(7-CYCLOHEXYL-(2-E,4-E,6-E)-[1,2-(13)-C2]-HEPTA-2,4,6-TRIENOYL)-[(15)-N]-AMINO-4-METHOXYBENZOIC_ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H2515NO4 |
| InChI | InChI=1S/C21H25NO4/c1-26-19-14-13-17(21(24)25)15-18(19)22-20(23)12-8-3-2-5-9-16-10-6-4-7-11-16/h2-3,5,8-9,12-16H,4,6-7,10-11H2,1H3,(H,22,23)(H,24,25)/b3-2+,9-5+,12-8+/i12+1,20+1,22+1 |
| InChIKey | ASQJSSVQADGTPF-ZNBKXYAJSA-N |
| Literature Reference Author | Y.HU,H.G.FLOSS |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,3837(2004) |
| Literature Reference DOI | 10.1021/ja039336+ |
| Molecular Weight | 356.427 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ24425 |