| SpectraBase Spectrum ID |
JIHPsA8msbb |
| Name |
(1S,2R)-2-(2-oxoethyl)cyclohexyl 2,6-dimethoxybenzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-20-14-8-5-9-15(21-2)16(14)17(19)22-13-7-4-3-6-12(13)10-11-18/h5,8-9,11-13H,3-4,6-7,10H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey |
SPEPUSWNVOGEQG-OLZOCXBDSA-N |
| Instrument Name |
Agilent 7890A-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201801434 |
| Molecular Weight |
306.358 g/mol |
| Optical Rotation |
[a]D20 = -45.1 (c = 1.0, CH2Cl2) |
| Quality |
58 |
| Reported Formula |
C15H22O5 |
| SMILES |
[C@]1(CCCC[C@@]1(CC=O)[H])(OC(C1=C(C=CC=C1OC)OC)=O)[H] |
| SPLASH |
splash10-0159-1910000000-11fb2419f6dc922de7e3 |
| Sample Comments |
89% ee |
| Source of Spectrum |
QE-24-SM14-4l (DOI: 10.1002/chem.201801434) |
| Wiley ID |
1900247 |
