SpectraBase Compound ID | CgY1Jwoslot |
---|---|
InChI | InChI=1S/C13H16O5/c1-17-9-6-7-12(18-2)10(8-9)11(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16) |
InChIKey | LZYOLLXPXIINET-UHFFFAOYSA-N |
Mol Weight | 252.27 g/mol |
Molecular Formula | C13H16O5 |
Exact Mass | 252.099774 g/mol |
SpectraBase Spectrum ID | IcwugNfgRLO |
---|---|
Name | 5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 252.099773610 u |
Formula | C13H16O5 |
InChI | InChI=1S/C13H16O5/c1-17-9-6-7-12(18-2)10(8-9)11(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16) |
InChIKey | LZYOLLXPXIINET-UHFFFAOYSA-N |
Molecular Weight | 252.266 g/mol |
SMILES | C1=CC(=C(C=C1OC)C(CCCC(O)=O)=O)OC |