![20,24-dimethyl-4,6,38,40-tetraoxa-18,19,25,26-tetraaza-5,39-dicupraheptacyclo[21.17.0.0(3,21).0(7,16).0(10,15).0(28,37).0(29,34)]tetraconta-1,3(21),7(16),8,10,12,14,17,19,22,24,26,28(37),29,31,33,35-heptadecaene heptahydrate](/api/spectrum/HBP4uGyhFFM/structure.png?h=300&w=458 "20,24-dimethyl-4,6,38,40-tetraoxa-18,19,25,26-tetraaza-5,39-dicupraheptacyclo[21.17.0.0(3,21).0(7,16).0(10,15).0(28,37).0(29,34)]tetraconta-1,3(21),7(16),8,10,12,14,17,19,22,24,26,28(37),29,31,33,35-heptadecaene heptahydrate")
| SpectraBase Compound ID | 5lsrVL2U78R |
|---|---|
| InChI | InChI=1S/C32H26N4O4.2Cu.7H2O/c1-19(35-33-17-27-23-9-5-3-7-21(23)11-13-29(27)37)25-15-26(32(40)16-31(25)39)20(2)36-34-18-28-24-10-6-4-8-22(24)12-14-30(28)38;;;;;;;;;/h3-18,37-40H,1-2H3;;;7*1H2/q;2*+2;;;;;;;/p-4 |
| InChIKey | FCJCREBUJTTXRN-UHFFFAOYSA-J |
| Mol Weight | 779.75 g/mol |
| Molecular Formula | C32H36Cu2N4O11 |
| Exact Mass | 778.097252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HBP4uGyhFFM |
|---|---|
| Name | 20,24-dimethyl-4,6,38,40-tetraoxa-18,19,25,26-tetraaza-5,39-dicupraheptacyclo[21.17.0.0(3,21).0(7,16).0(10,15).0(28,37).0(29,34)]tetraconta-1,3(21),7(16),8,10,12,14,17,19,22,24,26,28(37),29,31,33,35-heptadecaene heptahydrate |
| Appearance | Brown colour |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H36Cu2N4O11 |
| InChI | InChI=1S/C32H26N4O4.2Cu.7H2O/c1-19(35-33-17-27-23-9-5-3-7-21(23)11-13-29(27)37)25-15-26(32(40)16-31(25)39)20(2)36-34-18-28-24-10-6-4-8-22(24)12-14-30(28)38;;;;;;;;;/h3-18,37-40H,1-2H3;;;7*1H2/q;2*+2;;;;;;;/p-4 |
| InChIKey | FCJCREBUJTTXRN-UHFFFAOYSA-J |
| Instrument Name | Shimadzu GCMSqp 1000 ex |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/aoc.6650 |
| Molecular Weight | 779.750 g/mol |
| SMILES | c1ccc2c(c1)ccc1c2C=NN=C(C)c2c(O[Cu]O1)cc1c(C(=NN=Cc3c4ccccc4ccc3O[Cu]O1)C)c2.O.O.O.O.O.O.O |
| SPLASH | splash10-0ldi-0329762200-7198b655854ab140f77d |
| Source of Spectrum | AOC-36-9-3 |
| Wiley ID | 1870841 |