| SpectraBase Spectrum ID |
8d2JtneZmpu |
| Name |
3-Hexylisocoumarin |
| Alternate Name(s) |
3-hexyl-2-benzopyran-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O2 |
| InChI |
InChI=1S/C15H18O2/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15(16)17-13/h6-8,10-11H,2-5,9H2,1H3 |
| InChIKey |
PEAFZXXBOXWIEF-UHFFFAOYSA-N |
| Molecular Weight |
230.307 g/mol |
| SMILES |
C1(OC(CCCCCC)=Cc2c1cccc2)=O |
| SPLASH |
splash10-014i-0940000000-80834252ce84f3a5f03e |
| Source of Spectrum |
H1-41-2594-3 |
| Wiley ID |
757370 |
