| SpectraBase Spectrum ID |
J5C8zwTFqTy |
| Name |
(2.alpha.,4a.beta.,6.alpha.,8a.alpha.)-(.+-.)-6-Bromooctahydro-2,5,5,8a-tetramethyl-2H-1-benzopyran-2-carbonitrile |
| Alternate Name(s) |
(2R,4aS,6S,8aS)-6-bromo-2,5,5,8a-tetramethyloctahydro-2H-chromene-2-carbonitrile |
| CAS Registry Number |
71041-69-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22BrNO |
| InChI |
InChI=1S/C14H22BrNO/c1-12(2)10-5-7-13(3,9-16)17-14(10,4)8-6-11(12)15/h10-11H,5-8H2,1-4H3/t10-,11-,13+,14-/m0/s1 |
| InChIKey |
ZZBCBSUAJSVKQF-VTPLQMEGSA-N |
| Molecular Weight |
300.240 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)[C@](CC2)(Br)[H])(CC[C@@](O1)(C#N)C)[H])C |
| SPLASH |
splash10-0019-0090000000-420474bed3b038f3b017 |
| Source of Spectrum |
J-44-3465-0 |
| Wiley ID |
1301798 |
