| SpectraBase Spectrum ID |
3zRU53yBUQx |
| Name |
O6-ethyl O1,O1-dimethyl (E,4Z)-4-(1-cyclohexylethylidene)hex-5-ene-1,1,6-tricarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.219888744 u |
| Formula |
C21H32O6 |
| InChI |
InChI=1S/C21H32O6/c1-5-27-19(22)14-12-17(15(2)16-9-7-6-8-10-16)11-13-18(20(23)25-3)21(24)26-4/h12,14,16,18H,5-11,13H2,1-4H3/b14-12+,17-15- |
| InChIKey |
FWWKGEQIKXNDDN-ZXNBGUBTSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604531 |
| Molecular Weight |
380.481 g/mol |
| Quality |
215 |
| Reported Formula |
C21H32O6 |
| SMILES |
C(C(C(=O)OC)CC\C(\C=C\C(OCC)=O)=C\(C1CCCCC1)C)(=O)OC |
| SPLASH |
splash10-0002-2792000000-40ca338135cfe764e14f |
| Sample Comments |
Z/E = 99:1 |
| Source of Spectrum |
ACI-55-SM15-Compound 8 (DOI: 10.1002/anie.201604531) |
| Wiley ID |
1899207 |
