| SpectraBase Spectrum ID |
FlUO6p54Pqy |
| Name |
(1R,4S,5S)-Isopropyl 7,7-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-3,1'-cyclopentane]-5-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.183109313 u |
| Formula |
C16H26O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C16H26O4/c1-10(2)18-13(17)12-11-9-15(3,4)14(19-12)20-16(11)7-5-6-8-16/h10-12,14H,5-9H2,1-4H3/t11-,12+,14-/m1/s1 |
| InChIKey |
OVZFBUZEVTUKLX-MBNYWOFBSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Optical Rotation |
[a]D20 = +10.2 (c = 0.72, CHCl3) |
| Quality |
160 |
| Reported Formula |
C16H26O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C3(O2)CCCC3)(CC1(C)C)[H])(C(OC(C)C)=O)[H])[H] |
| SPLASH |
splash10-01pc-2900000000-8c419e5e46778d9d07e3 |
| Sample Comments |
endo/exo = 95:5, er = 71.4:28.6 |
| Source of Spectrum |
QE-22-SM21-8l (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903205 |
![(1R,4S,5S)-Isopropyl 7,7-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-3,1'-cyclopentane]-5-carboxylate](/api/spectrum/FlUO6p54Pqy/structure.png?h=300&w=458 "(1R,4S,5S)-Isopropyl 7,7-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-3,1'-cyclopentane]-5-carboxylate")
