| SpectraBase Spectrum ID |
6AnPDdIW0ay |
| Name |
3-Butyl-4-(4-methoxybenzyl)-1H-isochromen-1-one |
| Alternate Name(s) |
3-butyl-4-[(4-methoxyphenyl)methyl]-2-benzopyran-1-one
3-butyl-4-[(4-methoxyphenyl)methyl]isochromen-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O3 |
| InChI |
InChI=1S/C21H22O3/c1-3-4-9-20-19(14-15-10-12-16(23-2)13-11-15)17-7-5-6-8-18(17)21(22)24-20/h5-8,10-13H,3-4,9,14H2,1-2H3 |
| InChIKey |
GDHRNIVCCNSVSQ-UHFFFAOYSA-N |
| Molecular Weight |
322.404 g/mol |
| SMILES |
C1(=C(OC(c2c1cccc2)=O)CCCC)Cc1ccc(cc1)OC |
| SPLASH |
splash10-0079-0096000000-0707c9d1d65fcdcf3404 |
| Source of Spectrum |
F-65-1780-6a |
| Wiley ID |
1681591 |
