| SpectraBase Spectrum ID |
Drj6wWQ9U0F |
| Name |
[(2R)-2-ethylheptyl] 4-methoxybenzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.188194694 u |
| Formula |
C17H26O3 |
| InChI |
InChI=1S/C17H26O3/c1-4-6-7-8-14(5-2)13-20-17(18)15-9-11-16(19-3)12-10-15/h9-12,14H,4-8,13H2,1-3H3/t14-/m1/s1 |
| InChIKey |
IDESFLMYOPPKSM-CQSZACIVSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201800792 |
| Molecular Weight |
278.392 g/mol |
| Optical Rotation |
[a]D23 = -12.8 (c = 0.16 CHCl3) |
| Quality |
207 |
| Reported Formula |
C17H26O3 |
| SMILES |
CCCCC[C@](COC(C1=CC=C(C=C1)OC)=O)(CC)[H] |
| SPLASH |
splash10-0udr-3900000000-92a34a01397a035d8b04 |
| Sample Comments |
93.0% ee |
| Source of Spectrum |
ACI-57-SM33-C6 (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890735 |
![[(2R)-2-ethylheptyl] 4-methoxybenzoate](/api/spectrum/Drj6wWQ9U0F/structure.png?h=300&w=458 "[(2R)-2-ethylheptyl] 4-methoxybenzoate")
