| SpectraBase Spectrum ID |
BrMRO88ODTl |
| Name |
ethyl (2R,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-WDEREUQCSA-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 |
208 |
| Reported Formula |
C12H22O2 |
| SMILES |
C([C@@]([C@](C(OCC)=O)(C)[H])(C)[H])C=C(C)C |
| SPLASH |
splash10-0udj-6900000000-52dce627a90770e9d7e7 |
| Sample Comments |
dr = 3:97 |
| Source of Spectrum |
QE-22-SM39-syn-15a (DOI: 10.1002/chem.201601911) |
| Wiley ID |
1903523 |
