| SpectraBase Spectrum ID |
A3rk2YDhkay |
| Name |
(3R,1'S)-1',3-dimethyl-3H-spiro[isobenzofuran-1,3'-isochroman] |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.130679818 u |
| Formula |
C18H18O2 |
| InChI |
InChI=1S/C18H18O2/c1-12-15-8-4-3-7-14(15)11-18(19-12)17-10-6-5-9-16(17)13(2)20-18/h3-10,12-13H,11H2,1-2H3/t12-,13+,18?/m0/s1 |
| InChIKey |
UQUFGDAUFZOZGR-DWHBWFPUSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405889 |
| Molecular Weight |
266.340 g/mol |
| Quality |
8 |
| Reported Formula |
C18H18O2 |
| SMILES |
C1=CC2=C(C=C1)[C@@](OC1(C2)O[C@@](C2=C1C=CC=C2)(C)[H])(C)[H] |
| SPLASH |
splash10-014i-0900000000-f78a06e1596862128435 |
| Sample Comments |
Major isomer, 59% ee |
| Source of Spectrum |
QE-21-SM24-12b-major (DOI: 10.1002/chem.201405889) |
| Wiley ID |
1909037 |
![(3R,1'S)-1',3-dimethyl-3H-spiro[isobenzofuran-1,3'-isochroman]](/api/spectrum/A3rk2YDhkay/structure.png?h=300&w=458 "(3R,1'S)-1',3-dimethyl-3H-spiro[isobenzofuran-1,3'-isochroman]")
