| SpectraBase Spectrum ID |
FfWD6FomP0m |
| Name |
(3R,4S,E)-1-(2-Hexanoylphenyl)-8-methoxy-8-oxooct-1-ene-3,4-diyl diacetate |
| Appearance |
Colorless oil |
| Carrier Gas |
Hydrogen (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.230453428 u |
| Formula |
C25H34O7 |
| GC Column |
Macherey-Nagel-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C25H34O7/c1-5-6-7-13-22(28)21-12-9-8-11-20(21)16-17-24(32-19(3)27)23(31-18(2)26)14-10-15-25(29)30-4/h8-9,11-12,16-17,23-24H,5-7,10,13-15H2,1-4H3/b17-16+/t23-,24+/m0/s1 |
| InChIKey |
SGQFIJBNYTZBSE-DTTDVWBYSA-N |
| Instrument Name |
Agilent HP6890-5937N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202201424 |
| Molecular Weight |
446.540 g/mol |
| Optical Rotation |
[a]D20 = -134.4 (436 nm), -74.0 (546 nm), -63.6 (579 nm), -61.2 (589 nm) (c = 0.25, CHCl3) |
| Quality |
264 |
| SMILES |
C(=O)(C=1C=CC=CC1\C=C\[C@]([C@](CCCC(OC)=O)(OC(=O)C)[H])(OC(=O)C)[H])CCCCC |
| SPLASH |
splash10-0udi-1290000000-9ffff7929a649f4e3224 |
| Source of Spectrum |
K1-26-SM28-39 (DOI: 10.1002/ejoc.202201424) |
| Thin-Layer Chromatography |
0.65 (CyHex/EtOAc, 1:1) |
| Wiley ID |
1910585 |
