SpectraBase Compound ID | 29vs5bhGbGk |
---|---|
InChI | InChI=1S/C20H30O4/c1-4-7-8-9-10-14-23-19(21)16-12-11-13-17(15-16)20(22)24-18(5-2)6-3/h11-13,15,18H,4-10,14H2,1-3H3 |
InChIKey | XFXBPQGLTMWDDL-UHFFFAOYSA-N |
Mol Weight | 334.46 g/mol |
Molecular Formula | C20H30O4 |
Exact Mass | 334.214409 g/mol |
SpectraBase Spectrum ID | 4EDCc8hoEVS |
---|---|
Name | Isophthalic acid, heptyl 3-pentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 334.214409442 u |
Formula | C20H30O4 |
InChI | InChI=1S/C20H30O4/c1-4-7-8-9-10-14-23-19(21)16-12-11-13-17(15-16)20(22)24-18(5-2)6-3/h11-13,15,18H,4-10,14H2,1-3H3 |
InChIKey | XFXBPQGLTMWDDL-UHFFFAOYSA-N |
Molecular Weight | 334.456 g/mol |
SMILES | CCCCCCCOC(C1=CC(=CC=C1)C(OC(CC)CC)=O)=O |