![5,11,17-tris(4-methoxyphenyl)-8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene](/api/spectrum/BK3JGodTVJP/structure.png?h=300&w=458 "5,11,17-tris(4-methoxyphenyl)-8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene")
| SpectraBase Compound ID | 8ahHz3yDChE |
|---|---|
| InChI | InChI=1S/C39H29NO3S2/c1-41-30-12-4-24(5-13-30)27-10-18-33-35(20-27)44-37-22-29(26-8-16-32(43-3)17-9-26)23-38-39(37)40(33)34-19-11-28(21-36(34)45-38)25-6-14-31(42-2)15-7-25/h4-23H,1-3H3 |
| InChIKey | AXHLMADGCNYAQK-UHFFFAOYSA-N |
| Mol Weight | 623.8 g/mol |
| Molecular Formula | C39H29NO3S2 |
| Exact Mass | 623.158886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BK3JGodTVJP |
|---|---|
| Name | 5,11,17-tris(4-methoxyphenyl)-8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene |
| Appearance | Pale yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H29NO3S2 |
| InChI | InChI=1S/C39H29NO3S2/c1-41-30-12-4-24(5-13-30)27-10-18-33-35(20-27)44-37-22-29(26-8-16-32(43-3)17-9-26)23-38-39(37)40(33)34-19-11-28(21-36(34)45-38)25-6-14-31(42-2)15-7-25/h4-23H,1-3H3 |
| InChIKey | AXHLMADGCNYAQK-UHFFFAOYSA-N |
| Instrument Name | QMD 100 Carlo Erba |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ejoc.201801493 |
| Molecular Weight | 623.785 g/mol |
| SMILES | c1(ccc(cc1)-c1cc2c3c(c1)Sc1c(N3c3c(S2)cc(cc3)-c2ccc(cc2)OC)ccc(c1)-c1ccc(cc1)OC)OC |
| SPLASH | splash10-001l-9001002000-13a2fc3d03ca2a03fa11 |
| Source of Spectrum | U1-2019-174-3s |
| Wiley ID | 1843592 |