| SpectraBase Spectrum ID |
IUKOwFAs1w5 |
| Name |
2.beta.,8.beta.-Dicyano-4-methyl-6-benzyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane |
| Alternate Name(s) |
(2S,4R)-5a-benzyl-6a-methyloctahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene-2,4-dicarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18N2O3 |
| InChI |
InChI=1S/C19H18N2O3/c1-18-16-12(14(9-20)22-18)7-13-15(10-21)23-19(24-18,17(13)16)8-11-5-3-2-4-6-11/h2-6,12-17H,7-8H2,1H3/t12?,13?,14-,15+,16?,17?,18?,19?/m1/s1 |
| InChIKey |
QIPAMSZZBXVICW-WYBRCUEUSA-N |
| Molecular Weight |
322.364 g/mol |
| SMILES |
C12(C3C4C(CC3[C@@](O1)(C#N)[H])[C@](OC4(O2)C)(C#N)[H])Cc1ccccc1 |
| SPLASH |
splash10-0002-0092000000-e2628f57d438719a9aa8 |
| Source of Spectrum |
J-62-3212-6 |
| Wiley ID |
1321810 |
![2.beta.,8.beta.-Dicyano-4-methyl-6-benzyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane](/api/spectrum/IUKOwFAs1w5/structure.png?h=300&w=458 "2.beta.,8.beta.-Dicyano-4-methyl-6-benzyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane")
