| SpectraBase Spectrum ID |
AqklRmRB7e8 |
| Name |
n-Butyl 2-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O6 |
| InChI |
InChI=1S/C16H20O6/c1-4-5-8-21-13(17)9-12-10-6-7-11(19-2)15(20-3)14(10)16(18)22-12/h6-7,12H,4-5,8-9H2,1-3H3 |
| InChIKey |
NXTNJMGGOSJMFS-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803342 |
| Molecular Weight |
308.330 g/mol |
| Quality |
16 |
| Reported Formula |
C16H20O6 |
| SMILES |
C1(=C(C2=C(C=C1)C(OC2=O)CC(OCCCC)=O)OC)OC |
| SPLASH |
splash10-0a4l-0983000000-2eee4b727f4ca7c25123 |
| Source of Spectrum |
ACI-57-SM13-3oa (DOI: 10.1002/anie.201803342) |
| Wiley ID |
1890985 |
