| SpectraBase Compound ID | BJxkKmEElA4 |
|---|---|
| InChI | InChI=1S/C31H41NO9/c1-5-41-28(35)26-16-10-12-19-31(29(36)39-3,30(37)40-4)18-11-9-15-24(27(34)38-2)21-25(33)17-20-32(26)22-23-13-7-6-8-14-23/h6-14,24,26H,5,15-22H2,1-4H3/b11-9+,12-10+ |
| InChIKey | HVFSNRPKIZPLOO-WGDLNXRISA-N |
| Mol Weight | 571.7 g/mol |
| Molecular Formula | C31H41NO9 |
| Exact Mass | 571.278132 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JdSLP25Q0Oz |
|---|---|
| Name | 2-Ethyl 7,7,12-Trimethyl 1-benzyl-14-oxo-1-azacyclohexadeca-4,9-diene-2,7,7,12-tetracarboxylate |
| Alternate Name(s) | 2-Ethyl 7,7,12-trimethyl 1-benzyl-14-oxoazacyclohexadeca-4,9-diene-2,7,7,12-tetracarboxylate (4E,9E)-14-oxo-1-(phenylmethyl)-1-azacyclohexadeca-4,9-diene-2,7,7,12-tetracarboxylic acid O2-ethyl ester O7,O7',O12-trimethyl ester 2-O-ethyl 7-O,7-O',12-O-trimethyl (4E,9E)-1-benzyl-14-oxo-1-azacyclohexadeca-4,9-diene-2,7,7,12-tetracarboxylate O2-ethyl O7,O7',O12-trimethyl (4E,9E)-1-benzyl-14-oxo-1-azacyclohexadeca-4,9-diene-2,7,7,12-tetracarboxylate O2-ethyl O7,O7',O12-trimethyl (4E,9E)-14-oxidanylidene-1-(phenylmethyl)-1-azacyclohexadeca-4,9-diene-2,7,7,12-tetracarboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H41NO9 |
| InChI | InChI=1S/C31H41NO9/c1-5-41-28(35)26-16-10-12-19-31(29(36)39-3,30(37)40-4)18-11-9-15-24(27(34)38-2)21-25(33)17-20-32(26)22-23-13-7-6-8-14-23/h6-14,24,26H,5,15-22H2,1-4H3/b11-9+,12-10+ |
| InChIKey | HVFSNRPKIZPLOO-WGDLNXRISA-N |
| Molecular Weight | 571.667 g/mol |
| SMILES | C1(C(=O)OC)(C(=O)OC)C\C=C\CC(N(Cc2ccccc2)CCC(CC(C(=O)OC)C\C=C\C1)=O)C(=O)OCC |
| SPLASH | splash10-0002-0000910000-67752c928ef2a645deea |
| Source of Spectrum | K1-2001-4205-35 |
| Wiley ID | 813564 |