SpectraBase Spectrum ID |
JlF5ib1gWrE |
Name |
3,6-Dimethyl-2,3-dihydrobenzofuran |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
148.088815005 u |
Formula |
C10H12O |
GC Column |
Macherey-Nagel OPTIMA1 or Macherey-Nagel OPTIMA5 (25 m x 0.2 mm or 30 m x 0.25 mm, film thickness 0.35 micrometer or 0.25 micrometer) |
InChI |
InChI=1S/C10H12O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-5,8H,6H2,1-2H3 |
InChIKey |
NUGFZCHRZRZHLK-UHFFFAOYSA-N |
Instrument Name |
5933 series II or HP6890-HP5970A |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.201404903 |
Molecular Weight |
148.205 g/mol |
Optical Rotation |
[a]D20 = -8.1 (c = 1.00, CHCl3) |
Quality |
223 |
SMILES |
CC=1C=CC2=C(C1)OCC2C |
SPLASH |
splash10-053s-0900000000-6b76f94637f2e423bdc4 |
Sample Comments |
91% ee |
Source of Spectrum |
QE-21-SM53-28a (DOI: 10.1002/chem.201404903) |
Thin-Layer Chromatography |
0.70 (SiO2, cyclohexane/EtOAc, 9:1) |
Wiley ID |
1906980 |