| SpectraBase Spectrum ID |
HWwmddwCsAQ |
| Name |
2-Chloro-2-cyano-1-methyl-4-(methylethyl)-bicyclo[2.2.2]oct-5-ene |
| Classification |
Bicyclic monoterpenoids |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
223.112777284 u |
| Formula |
C13H18ClN |
| InChI |
InChI=1S/C13H18ClN/c1-10(2)12-6-4-11(3,5-7-12)13(14,8-12)9-15/h4,6,10H,5,7-8H2,1-3H3/t11-,12-,13+/m1/s1 |
| InChIKey |
KSGWTDBNQWAOAT-UPJWGTAASA-N |
| Molecular Weight |
223.747 g/mol |
| Number of Peaks |
8 |
| SMILES |
C1[C@]2(C[C@]([C@@](C1)(C=C2)C)(Cl)C#N)C(C)C |
| SPLASH |
splash10-007c-3900000000-c2cc512523c2bbf2b652 |
| Source of Spectrum |
FF-8-299-6 (DOI: 10.1002/ffj.2730080603) |
| Synonyms |
(1R,2S,4R)-2-chloro-4-isopropyl-1-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile |
| Wiley ID |
1801278 |
![2-Chloro-2-cyano-1-methyl-4-(methylethyl)-bicyclo[2.2.2]oct-5-ene](/api/spectrum/HWwmddwCsAQ/structure.png?h=300&w=458 "2-Chloro-2-cyano-1-methyl-4-(methylethyl)-bicyclo[2.2.2]oct-5-ene")
