| SpectraBase Spectrum ID |
5BnMAHoFpg |
| Name |
4-(4-Chlorobutyl)-8-methyl-3-phenyl-1H-isochromen-1-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.107357550 u |
| Formula |
C20H19ClO2 |
| InChI |
InChI=1S/C20H19ClO2/c1-14-8-7-12-16-17(11-5-6-13-21)19(23-20(22)18(14)16)15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3 |
| InChIKey |
LBUYDUBWXYKVDJ-UHFFFAOYSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201802748 |
| Molecular Weight |
326.823 g/mol |
| Reported Formula |
C20H19(35)ClO2 |
| SMILES |
C=1C=CC=2C(CCCCCl)=C(OC(=O)C2C1C)C1=CC=CC=C1 |
| SPLASH |
splash10-0092-0093000000-214a5ccc7e0c3433b3c0 |
| Source of Spectrum |
ACI-57-SM20-3an (DOI: 10.1002/anie.201802748) |
| Wiley ID |
1890952 |
