| SpectraBase Spectrum ID |
46dkwfdSqoD |
| Name |
O6-ethyl O1,O1-dimethyl (E,4Z)-4-[3-(1,3-dioxan-2-yl)-1-methyl-propylidene]hex-5-ene-1,1,6-tricarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.209717982 u |
| Formula |
C21H32O8 |
| InChI |
InChI=1S/C21H32O8/c1-5-27-18(22)11-9-16(8-10-17(20(23)25-3)21(24)26-4)15(2)7-12-19-28-13-6-14-29-19/h9,11,17,19H,5-8,10,12-14H2,1-4H3/b11-9+,16-15- |
| InChIKey |
KVLYGZVNMBSBGX-IDGWLOPVSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604531 |
| Molecular Weight |
412.479 g/mol |
| Quality |
214 |
| Reported Formula |
C21H32O8 |
| SMILES |
C(C(C(=O)OC)CC\C(\C=C\C(OCC)=O)=C\(CCC1OCCCO1)C)(=O)OC |
| SPLASH |
splash10-08fr-2920000000-5e7e400fc596f4d2bfa6 |
| Sample Comments |
Z/E > 98:2 |
| Source of Spectrum |
ACI-55-SM15-Compound 9 (DOI: 10.1002/anie.201604531) |
| Wiley ID |
1899208 |
![O6-ethyl O1,O1-dimethyl (E,4Z)-4-[3-(1,3-dioxan-2-yl)-1-methyl-propylidene]hex-5-ene-1,1,6-tricarboxylate](/api/spectrum/46dkwfdSqoD/structure.png?h=300&w=458 "O6-ethyl O1,O1-dimethyl (E,4Z)-4-[3-(1,3-dioxan-2-yl)-1-methyl-propylidene]hex-5-ene-1,1,6-tricarboxylate")
