| SpectraBase Spectrum ID |
B4Gx050YVRm |
| Name |
(1R,4S,5S)-Ethyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclopentane]-5-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C15H24O4/c1-4-17-12(16)11-10-9-15(7-5-6-8-15)13(18-11)19-14(10,2)3/h10-11,13H,4-9H2,1-3H3/t10-,11+,13-/m1/s1 |
| InChIKey |
FHFOJQBBZRCRJG-NTZNESFSSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Molecular Weight |
268.353 g/mol |
| Optical Rotation |
[a]D30 = +33.1 (c = 0.98, CHCl3) |
| Quality |
193 |
| Reported Formula |
C15H24O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC11CCCC1)[H])(C(=O)OCC)[H])[H] |
| SPLASH |
splash10-0006-5900000000-6768fc6a39e212639f90 |
| Sample Comments |
endo/exo = 96:4, er = 95.6:4.4 |
| Source of Spectrum |
QE-22-SM17-8g (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903200 |
![(1R,4S,5S)-Ethyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclopentane]-5-carboxylate](/api/spectrum/B4Gx050YVRm/structure.png?h=300&w=458 "(1R,4S,5S)-Ethyl 3,3-dimethyl-2,6-dioxaspiro[bicyclo[2.2.2]octane-7,1'-cyclopentane]-5-carboxylate")
