| SpectraBase Spectrum ID |
54EMnY0mW5D |
| Name |
3-n-Butyl-4-(4-methoxyphenyl)-8-methyl-1H-isochromen-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.156894565 u |
| Formula |
C21H22O3 |
| InChI |
InChI=1S/C21H22O3/c1-4-5-9-18-20(15-10-12-16(23-3)13-11-15)17-8-6-7-14(2)19(17)21(22)24-18/h6-8,10-13H,4-5,9H2,1-3H3 |
| InChIKey |
KYIIQBSXHFMBSU-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802748 |
| Molecular Weight |
322.404 g/mol |
| Reported Formula |
C21H22O3 |
| SMILES |
C=1C=CC=2C(C3=CC=C(C=C3)OC)=C(OC(=O)C2C1C)CCCC |
| SPLASH |
splash10-00y0-0094000000-749378e4ea03f70b713d |
| Source of Spectrum |
ACI-57-SM18-3ak' (DOI: 10.1002/anie.201802748) |
| Wiley ID |
1890946 |
