| SpectraBase Spectrum ID |
5Cu17mjhG3X |
| Name |
3-Benzyl-5,6-dimethoxy-3,4-dihydroisocoumarin |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O4 |
| InChI |
InChI=1S/C18H18O4/c1-20-16-9-8-14-15(17(16)21-2)11-13(22-18(14)19)10-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3 |
| InChIKey |
IDMMCXKLOFXUTP-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard series II GC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0014.310 |
| Molecular Weight |
298.338 g/mol |
| Reported Formula |
C18H18O4 |
| SMILES |
c1(ccccc1)CC1OC(c2c(C1)c(c(cc2)OC)OC)=O |
| SPLASH |
splash10-056r-0970000000-c536b232abeb45eba1e5 |
| Source of Spectrum |
ARK-2013-125-4a |
| Thin-Layer Chromatography |
Rf = 0.31 (ethyl acetate/n-hexane, 1: 5) |
| Wiley ID |
1853475 |
