| SpectraBase Spectrum ID |
GD5m6xtFCW |
| Name |
4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butanal |
| Appearance |
Yellowish viscous oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C21H30O3/c1-16-8-7-10-18(9-5-6-13-22)21(16,2)15-17-14-19(23-3)11-12-20(17)24-4/h10-14,16H,5-9,15H2,1-4H3/t16-,21+/m1/s1 |
| InChIKey |
BXCCSFYZSJPKQD-IERDGZPVSA-N |
| Instrument Name |
Agilent HP6890- 5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202105733 |
| Molecular Weight |
330.468 g/mol |
| Optical Rotation |
[a]D20 = -80 (436 nm), -41 (546 nm), -34 (579 nm), -32 (589 nm) (c = 0.57, CHCl3) |
| SMILES |
[C@@]1(C(=CCC[C@]1(C)[H])CCCC=O)(Cc1c(ccc(c1)OC)OC)C |
| SPLASH |
splash10-0mdl-4900000000-4d8b3e01dca974eb6537 |
| Source of Spectrum |
ACI-60-SM14-10 |
| Thin-Layer Chromatography |
Rf = 0.27 (c-Hex/EtOAc, 9:1) |
| Wiley ID |
1882557 |
![4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butanal](/api/spectrum/GD5m6xtFCW/structure.png?h=300&w=458 "4-[(5R,6S)-6-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethyl-cyclohexen-1-yl]butanal")
