| SpectraBase Spectrum ID |
4pp1ZbpkBoG |
| Name |
ethyl (2S)-2-methyloctanoate |
| 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/c1-4-6-7-8-9-10(3)11(12)13-5-2/h10H,4-9H2,1-3H3/t10-/m0/s1 |
| InChIKey |
HRJHQOXWONBAJC-JTQLQIEISA-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 = 7.3 (c = 0.28, CHCl3) |
| Quality |
174 |
| Reported Formula |
C11H22O2 |
| SMILES |
C(CCCC[C@@](C(OCC)=O)(C)[H])C |
| SPLASH |
splash10-0udi-2900000000-2514fc3a877c9310ce15 |
| Source of Spectrum |
ACI-57-SM29-S-9a (DOI: 10.1002/anie.201800792) |
| Wiley ID |
1890752 |
