![9,23-dibutyl-1,9,15,23-tetraazaoctacyclo[13.13.1.1(3,7).1(17,21).0(2,13).0(16,27).0(11,31).0(25,30)]hentriaconta-2(13),3,5,7(31),11,16(27),17(30),18,20,25-decaene-8,10,22,24-tetrone](/api/spectrum/C7IEcZHie93/structure.png?h=300&w=458 "9,23-dibutyl-1,9,15,23-tetraazaoctacyclo[13.13.1.1(3,7).1(17,21).0(2,13).0(16,27).0(11,31).0(25,30)]hentriaconta-2(13),3,5,7(31),11,16(27),17(30),18,20,25-decaene-8,10,22,24-tetrone")
| SpectraBase Compound ID | Kx7BoK0sY07 |
|---|---|
| InChI | InChI=1S/C35H32N4O4/c1-3-5-13-38-32(40)24-11-7-9-22-28(24)26(34(38)42)15-20-17-36-19-37(30(20)22)18-21-16-27-29-23(31(21)36)10-8-12-25(29)33(41)39(35(27)43)14-6-4-2/h7-12,15-16H,3-6,13-14,17-19H2,1-2H3 |
| InChIKey | BPPJOYWLVKJHIM-UHFFFAOYSA-N |
| Mol Weight | 572.7 g/mol |
| Molecular Formula | C35H32N4O4 |
| Exact Mass | 572.242356 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C7IEcZHie93 |
|---|---|
| Name | 9,23-dibutyl-1,9,15,23-tetraazaoctacyclo[13.13.1.1(3,7).1(17,21).0(2,13).0(16,27).0(11,31).0(25,30)]hentriaconta-2(13),3,5,7(31),11,16(27),17(30),18,20,25-decaene-8,10,22,24-tetrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H32N4O4 |
| InChI | InChI=1S/C35H32N4O4/c1-3-5-13-38-32(40)24-11-7-9-22-28(24)26(34(38)42)15-20-17-36-19-37(30(20)22)18-21-16-27-29-23(31(21)36)10-8-12-25(29)33(41)39(35(27)43)14-6-4-2/h7-12,15-16H,3-6,13-14,17-19H2,1-2H3 |
| InChIKey | BPPJOYWLVKJHIM-UHFFFAOYSA-N |
| Instrument Name | GCT CA156 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/chem.201905248 |
| Molecular Weight | 572.665 g/mol |
| SMILES | c1c2c3c(C(N(C(c3cc3c2N2Cc4cc5c6c(C(N(C5=O)CCCC)=O)cccc6c4N(C2)C3)=O)CCCC)=O)cc1 |
| SPLASH | splash10-00di-0010290000-b0266f210bfd6cfb0a99 |
| Source of Spectrum | QE-26-SM6-NI-TB |
| Wiley ID | 1858627 |