| SpectraBase Spectrum ID |
Coxy32RK7Ng |
| Name |
ethyl (2S,3S)-2,3,6-trimethylhept-5-enoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-6-14-12(13)11(5)10(4)8-7-9(2)3/h7,10-11H,6,8H2,1-5H3/t10-,11-/m0/s1 |
| InChIKey |
CFPZUDHTTYBOQK-QWRGUYRKSA-N |
| Instrument Name |
Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601911 |
| Molecular Weight |
198.306 g/mol |
| Quality |
191 |
| Reported Formula |
C12H22O2 |
| SMILES |
C([C@@]([C@@](C(OCC)=O)(C)[H])(C)[H])C=C(C)C |
| SPLASH |
splash10-0udj-6900000000-2e5adfcdd50feaf41808 |
| Sample Comments |
dr = 97:3 |
| Source of Spectrum |
QE-22-SM38-anti-15a (DOI: 10.1002/chem.201601911) |
| Wiley ID |
1903495 |
