| SpectraBase Spectrum ID |
DAhkaittuSL |
| Name |
Cyclohexanepropanenitrile, 2-(6-methoxy-2-oxohexyl)-4-methyl-6-oxo-, (1.alpha.,2.alpha.,4.beta.)-(.+-.)- |
| CAS Registry Number |
80471-31-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H27NO3 |
| InChI |
InChI=1S/C17H27NO3/c1-13-10-14(12-15(19)6-3-4-9-21-2)16(7-5-8-18)17(20)11-13/h13-14,16H,3-7,9-12H2,1-2H3/t13-,14+,16-/m1/s1 |
| InChIKey |
MMGPCWMCVNCTEH-IJEWVQPXSA-N |
| Molecular Weight |
293.407 g/mol |
| SMILES |
C1([C@@]([C@](CC(=O)CCCCOC)(C[C@](C1)(C)[H])[H])(CCC#N)[H])=O |
| SPLASH |
splash10-03di-0920000000-34b4a614812f50582d45 |
| Source of Spectrum |
C-104-1065-0 |
| Synonyms |
(1RS,4aSR,6RS)-and(1RS,4RS,6RS)-6-(6-methoxy-2-oxohexyl)-4-methyl-2-oxocyclohexanepropanenitrile
3-[(1R,2S,4R)-2-(6-methoxy-2-oxohexyl)-4-methyl-6-oxocyclohexyl]propanenitrile |
| Wiley ID |
1296400 |
