| SpectraBase Spectrum ID |
Gq40clUIfhp |
| Name |
9,9,18,18-Bis(cyclopentamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,10)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione |
| Alternate Name(s) |
9,9,18,18-Bis(cyclopentamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,16)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione
dispiro[cyclohexane-1,8'-[2,11]dithia-[5,6,9,14,15,18,19,20]octaazatricyclo[14.2.1.1(7,10)]icosane-17',1''-cyclohexane]-1'(19'),6',10'(20'),15'-tetraene-4',13'-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28N8O2S2 |
| InChI |
InChI=1S/C20H28N8O2S2/c29-13-12-32-18-22-16(20(24-18)9-5-2-6-10-20)28-26-14(30)11-31-17-21-15(27-25-13)19(23-17)7-3-1-4-8-19/h1-12H2,(H,25,29)(H,26,30)(H,21,23,27)(H,22,24,28) |
| InChIKey |
RNLFJPHUMWSLAG-UHFFFAOYSA-N |
| Molecular Weight |
476.618 g/mol |
| SMILES |
N1C(CSC=2NC3(\C(N2)=N\NC(CSC2=N\C(=N/1)C1(CCCCC1)N2)=O)CCCCC3)=O |
| SPLASH |
splash10-03fr-0900500000-6649501366398d8ddad4 |
| Source of Spectrum |
H1-53-2050-7 |
| Wiley ID |
817870 |
![9,9,18,18-Bis(cyclopentamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,10)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione](/api/spectrum/Gq40clUIfhp/structure.png?h=300&w=458 "9,9,18,18-Bis(cyclopentamethylene)-6,15-dithia-2,3,8,11,12,17,19,20-octaazatricyclo[14.2.1.1(7,10)]eicosa-1,7(20),10,16(19)-tetraene-4,13-dione")
