| SpectraBase Spectrum ID |
774tXHJKhKt |
| Name |
ethyl (2R)-2-ethylheptanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-4-7-8-9-10(5-2)11(12)13-6-3/h10H,4-9H2,1-3H3/t10-/m1/s1 |
| InChIKey |
ZDAVQPOSWCQTLX-SNVBAGLBSA-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 |
186.295 g/mol |
| Optical Rotation |
[a]D23 = -12.3 (c = 0.17, CHCl3) |
| Quality |
296 |
| Reported Formula |
C11H22O2 |
| SMILES |
CCCCC[C@](C(OCC)=O)(CC)[H] |
| SPLASH |
splash10-01b9-3900000000-a37fe5b77863979e8f75 |
| Source of Spectrum |
ACI-57-SM32-R-9b (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890742 |
