| SpectraBase Spectrum ID |
B3nGU573GIi |
| Name |
(1S*,4S*,7S*)-7-(Benzyloxy)-5-cyano-3,3-trimethoxy-2-oxobicyclo[2.2.2]oct-5-en-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-21-18(22-2)15-9-16(14(17(18)20)8-13(15)10-19)23-11-12-6-4-3-5-7-12/h3-8,14-16H,9,11H2,1-2H3/t14-,15+,16+/m1/s1 |
| InChIKey |
HSVHXCSIHPGHBO-PMPSAXMXSA-N |
| Molecular Weight |
313.353 g/mol |
| SMILES |
C1(C([C@@]2([H])[C@](C[C@]1(C(=C2)C#N)[H])(OCc1ccccc1)[H])=O)(OC)OC |
| SPLASH |
splash10-004i-6910000000-03dbef098f33ce251892 |
| Source of Spectrum |
F-57-305-3 |
| Wiley ID |
1549215 |
![(1S*,4S*,7S*)-7-(Benzyloxy)-5-cyano-3,3-trimethoxy-2-oxobicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/B3nGU573GIi/structure.png?h=300&w=458 "(1S*,4S*,7S*)-7-(Benzyloxy)-5-cyano-3,3-trimethoxy-2-oxobicyclo[2.2.2]oct-5-en-2-one")
