| SpectraBase Spectrum ID |
BSQKx1kG1QT |
| Name |
(1R,3S,4S)- Isopropyl 7,7-diethyl-5,5-dimethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C16H28O4/c1-7-16(8-2)9-11-12(13(17)18-10(3)4)19-14(16)20-15(11,5)6/h10-12,14H,7-9H2,1-6H3/t11-,12+,14-/m1/s1 |
| InChIKey |
SCVJOJPSEDAUHO-MBNYWOFBSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Molecular Weight |
284.396 g/mol |
| Quality |
211 |
| Reported Formula |
C16H28O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC1(CC)CC)[H])(C(=O)OC(C)C)[H])[H] |
| SPLASH |
splash10-06ri-6900000000-fab55939279d3ff4c83f |
| Sample Comments |
endo/exo = 96.5:3.5, er = 93.5:6.5 |
| Source of Spectrum |
QE-22-SM18-8i (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903202 |
![(1R,3S,4S)- Isopropyl 7,7-diethyl-5,5-dimethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate](/api/spectrum/BSQKx1kG1QT/structure.png?h=300&w=458 "(1R,3S,4S)- Isopropyl 7,7-diethyl-5,5-dimethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate")
