| SpectraBase Spectrum ID |
454eCnBga0n |
| Name |
methyl (4S)-2,4,8-trimethylnona-2,7-dienoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-10(2)7-6-8-11(3)9-12(4)13(14)15-5/h7,9,11H,6,8H2,1-5H3/t11-/m0/s1 |
| InChIKey |
QJZDNRNUGNTFNQ-NSHDSACASA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202002297 |
| Molecular Weight |
210.317 g/mol |
| Optical Rotation |
[a]D20 = +4.9 (c = 0.5, CHCl3) |
| Reported Formula |
C13H22O2 |
| SMILES |
C(=CCC[C@@](C=C(C(OC)=O)C)(C)[H])(C)C |
| SPLASH |
splash10-05rs-9700000000-8184c3c580b60ac14434 |
| Sample Comments |
84% ee |
| Source of Spectrum |
QE-76-SM31-(S)-3k |
| Wiley ID |
1843547 |
