| SpectraBase Spectrum ID |
D2bQQQIxn2X |
| Name |
3-Butylisocoumarin |
| Alternate Name(s) |
3-Butyl-2-benzopyran-1-one
3-Butylisochromen-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,2-3,7H2,1H3 |
| InChIKey |
YBZYVRHAWKKYNO-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| SMILES |
C1(=O)OC(=Cc2ccccc12)CCCC |
| SPLASH |
splash10-0udi-0890000000-86b1ecb09061534889c5 |
| Source of Spectrum |
AN-105-788-3 |
| Wiley ID |
747500 |
