| SpectraBase Spectrum ID |
I19wYMJhEDy |
| Name |
Dispiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan-7',3''-[1]oxacyclopent-[4]-en-2'',3'-dione, 4'-cyclohexyliden-1',5''-bis(4-hexadeca |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
992.710520043 u |
| Formula |
C64H96O8 |
| InChI |
InChI=1S/C42H60O6.C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-37(44)47-34-26-24-32(25-27-34)36(46-31-43)30-35-40-39(42(35)28-19-15-20-29-42)38(41(45)48-40)33-21-16-14-17-22-33;1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h24-27,30-31,35,39-40H,2-23,28-29H2,1H3;14-16,18-19H,2-13,17,20H2,1H3/b36-30-; |
| InChIKey |
DWCCEVFWVGALNJ-KTIIWOGHSA-N |
| Molecular Weight |
993.464 g/mol |
| Nominal Mass |
992 u |
| SMILES |
c1ccc(cc1)OC(=O)CCCCCCCCCCCCCCC.C12(C(C3C2C(=C2CCCCC2)C(=O)O3)\C=C\(OC=O)c2ccc(cc2)OC(=O)CCCCCCCCCCCCCCC)CCCCC1 |
![Dispiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan-7',3''-[1]oxacyclopent-[4]-en-2'',3'-dione, 4'-cyclohexyliden-1',5''-bis(4-hexadeca](/api/spectrum/I19wYMJhEDy/structure.png?h=300&w=458 "Dispiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan-7',3''-[1]oxacyclopent-[4]-en-2'',3'-dione, 4'-cyclohexyliden-1',5''-bis(4-hexadeca")
