| SpectraBase Spectrum ID |
Cn9FVXSW4Wa |
| Name |
3-Benzyl-5-butoxy-6-methoxy-3,4-dihydroisocoumarin |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O4 |
| InChI |
InChI=1S/C21H24O4/c1-3-4-12-24-20-18-14-16(13-15-8-6-5-7-9-15)25-21(22)17(18)10-11-19(20)23-2/h5-11,16H,3-4,12-14H2,1-2H3 |
| InChIKey |
GTOPUXMSUHIOEP-UHFFFAOYSA-N |
| Instrument Name |
Hewlett Packard series II GC-MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0014.310 |
| Molecular Weight |
340.419 g/mol |
| SMILES |
c1(ccccc1)CC1OC(c2c(C1)c(c(cc2)OC)OCCCC)=O |
| SPLASH |
splash10-0006-0931000000-77a2031f97e3217a3b28 |
| Source of Spectrum |
ARK-2013-126-4d |
| Thin-Layer Chromatography |
Rf = 0.31 (ethyl acetate/n-hexane, 1:5) |
| Wiley ID |
1853478 |
