| SpectraBase Spectrum ID |
IIEstc7Bpoi |
| Name |
6,8-Dioxabicyclo[3.2.1]octan-4-one, 2-(4-cyclohexyl-4,5-dihydro-3-phenyl-5-thioxo-1H-1,2,4-triazol-1-yl)- |
| Alternate Name(s) |
2-(4-cyclohexyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H23N3O3S |
| InChI |
InChI=1S/C20H23N3O3S/c24-16-11-15(17-12-25-19(16)26-17)23-20(27)22(14-9-5-2-6-10-14)18(21-23)13-7-3-1-4-8-13/h1,3-4,7-8,14-15,17,19H,2,5-6,9-12H2/t15-,17+,19+/m0/s1 |
| InChIKey |
SPGLAQXGFDMRLF-KVSKMBFKSA-N |
| Molecular Weight |
385.482 g/mol |
| SMILES |
C1([C@@]2(OC[C@]([C@](C1)(N1C(N(C(=N1)c1ccccc1)C1CCCCC1)=S)[H])(O2)[H])[H])=O |
| SPLASH |
splash10-0006-9321000000-7d7dc0847a51f31bf261 |
| Source of Spectrum |
IY-1-4591-8 |
| Wiley ID |
1653901 |
![6,8-Dioxabicyclo[3.2.1]octan-4-one, 2-(4-cyclohexyl-4,5-dihydro-3-phenyl-5-thioxo-1H-1,2,4-triazol-1-yl)-](/api/spectrum/IIEstc7Bpoi/structure.png?h=300&w=458 "6,8-Dioxabicyclo[3.2.1]octan-4-one, 2-(4-cyclohexyl-4,5-dihydro-3-phenyl-5-thioxo-1H-1,2,4-triazol-1-yl)-")
