![5-chloro-16-(8-{5-chloro-2-oxo-9,17-dioxa-12-thiatetracyclo[8.7.0.0(3,8).0(11,15)]heptadeca-1(10),3,5,7,11(15),13-hexaen-16-yl}octyl)-9,17-dioxa-12-thiatetracyclo[8.7.0.0(3,8).0(11,15)]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one](/api/spectrum/B3oBvrgfEDg/structure.png?h=300&w=458 "5-chloro-16-(8-{5-chloro-2-oxo-9,17-dioxa-12-thiatetracyclo[8.7.0.0(3,8).0(11,15)]heptadeca-1(10),3,5,7,11(15),13-hexaen-16-yl}octyl)-9,17-dioxa-12-thiatetracyclo[8.7.0.0(3,8).0(11,15)]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one")
| SpectraBase Compound ID | KBGWAahdGn8 |
|---|---|
| InChI | InChI=1S/C36H28Cl2O6S2/c37-19-9-11-27-23(17-19)29(39)31-33(43-27)35-21(13-15-45-35)25(41-31)7-5-3-1-2-4-6-8-26-22-14-16-46-36(22)34-32(42-26)30(40)24-18-20(38)10-12-28(24)44-34/h9-18,25-26H,1-8H2 |
| InChIKey | JAWSTJGMMKBYCR-UHFFFAOYSA-N |
| Mol Weight | 691.6 g/mol |
| Molecular Formula | C36H28Cl2O6S2 |
| Exact Mass | 690.070436 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3oBvrgfEDg |
|---|---|
| Name | 5-chloro-16-(8-{5-chloro-2-oxo-9,17-dioxa-12-thiatetracyclo[8.7.0.0(3,8).0(11,15)]heptadeca-1(10),3,5,7,11(15),13-hexaen-16-yl}octyl)-9,17-dioxa-12-thiatetracyclo[8.7.0.0(3,8).0(11,15)]heptadeca-1(10),3(8),4,6,11(15),13-hexaen-2-one |
| Appearance | Pale yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H28Cl2O6S2 |
| InChI | InChI=1S/C36H28Cl2O6S2/c37-19-9-11-27-23(17-19)29(39)31-33(43-27)35-21(13-15-45-35)25(41-31)7-5-3-1-2-4-6-8-26-22-14-16-46-36(22)34-32(42-26)30(40)24-18-20(38)10-12-28(24)44-34/h9-18,25-26H,1-8H2 |
| InChIKey | JAWSTJGMMKBYCR-UHFFFAOYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.3998/ark.5550190.0007.f04 |
| SMILES | c1cc2c(cc1Cl)C(C1=C(O2)c2c(C(O1)CCCCCCCCC1OC3=C(Oc4c(C3=O)cc(cc4)Cl)c3c1ccs3)ccs2)=O |
| SPLASH | splash10-0006-0060209000-0fd240563b25c265b0d6 |
| Source of Spectrum | ARK-2006-34-6 |
| Wiley ID | 1871202 |