| SpectraBase Spectrum ID |
9Tp7Cpr8TA5 |
| Name |
Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 2-[(1,1-dimethylethyl)thio]-, (1.alpha.,2.alpha.,4.alpha.)- |
| CAS Registry Number |
119364-48-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19NS |
| InChI |
InChI=1S/C13H19NS/c1-12(2,3)15-13(9-14)8-10-4-6-11(13)7-5-10/h4,6,10-11H,5,7-8H2,1-3H3/t10-,11+,13+/m0/s1 |
| InChIKey |
AKLUFFISPPVQQO-DMDPSCGWSA-N |
| Molecular Weight |
221.362 g/mol |
| SMILES |
[C@@]1(SC(C)(C)C)(C#N)[C@@]2(C=C[C@](C1)(CC2)[H])[H] |
| SPLASH |
splash10-053r-9000000000-3e69267e732789dfbd7b |
| Source of Spectrum |
H-71-746-3 |
| Synonyms |
(1S,2S,4S)-2-(tert-butylsulfanyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
2-[(t-butyl)thio]bicyclo[2.2.2]hex-5-ene-2-carbonitrile |
| Wiley ID |
1221457 |
![Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 2-[(1,1-dimethylethyl)thio]-, (1.alpha.,2.alpha.,4.alpha.)-](/api/spectrum/9Tp7Cpr8TA5/structure.png?h=300&w=458 "Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 2-[(1,1-dimethylethyl)thio]-, (1.alpha.,2.alpha.,4.alpha.)-")
