| SpectraBase Spectrum ID |
5OKjwUBn2Ws |
| Name |
2-[2,2-Bis(ethoxycarbonyl)ethyl]-4-thiapentacyclo[6.6.6.0(3,7).0(9,14).0(15,20)]icosa-3(7),5,7,9,11,,13,15,17,19-octane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26O4S |
| InChI |
InChI=1S/C27H26O4S/c1-3-30-26(28)22(27(29)31-4-2)15-21-24-18-11-7-5-9-16(18)23(20-13-14-32-25(20)21)17-10-6-8-12-19(17)24/h5-14,21-24H,3-4,15H2,1-2H3 |
| InChIKey |
JPRHJYLXIPLIJH-UHFFFAOYSA-N |
| Molecular Weight |
446.561 g/mol |
| SMILES |
c12C3c4c(cccc4)C(C(c1scc2)CC(C(=O)OCC)C(=O)OCC)c1c3cccc1 |
| SPLASH |
splash10-000i-0090100000-faabe4954ebcf2a118cd |
| Source of Spectrum |
U1-2008-5333-4d |
| Wiley ID |
1662171 |
![2-[2,2-Bis(ethoxycarbonyl)ethyl]-4-thiapentacyclo[6.6.6.0(3,7).0(9,14).0(15,20)]icosa-3(7),5,7,9,11,,13,15,17,19-octane](/api/spectrum/5OKjwUBn2Ws/structure.png?h=300&w=458 "2-[2,2-Bis(ethoxycarbonyl)ethyl]-4-thiapentacyclo[6.6.6.0(3,7).0(9,14).0(15,20)]icosa-3(7),5,7,9,11,,13,15,17,19-octane")
