SpectraBase Compound ID | IduRB5cMNse |
---|---|
InChI | InChI=1S/C13H16O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8H,2-3,7,9H2,1H3,(H,15,16) |
InChIKey | KNRXWTJWFLAIHI-UHFFFAOYSA-N |
Mol Weight | 220.27 g/mol |
Molecular Formula | C13H16O3 |
Exact Mass | 220.109944 g/mol |
SpectraBase Spectrum ID | 1k9zXrdmOD0 |
---|---|
Name | 2-(2'-Oxohexyl)benzoic acid |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H16O3 |
InChI | InChI=1S/C13H16O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8H,2-3,7,9H2,1H3,(H,15,16) |
InChIKey | KNRXWTJWFLAIHI-UHFFFAOYSA-N |
Molecular Weight | 220.268 g/mol |
SMILES | OC(c1c(CC(=O)CCCC)cccc1)=O |
SPLASH | splash10-014r-2900000000-da3c88676abe2864ab68 |
Source of Spectrum | Y1-42-1525-2 |
Wiley ID | 1565206 |