SpectraBase Compound ID | H5t0ymqOcTT |
---|---|
InChI | InChI=1S/C17H16O4/c1-3-20-16(18)13-7-5-8-14(11-13)17(19)21-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3 |
InChIKey | OFKGOZKVKPWQAY-UHFFFAOYSA-N |
Mol Weight | 284.31 g/mol |
Molecular Formula | C17H16O4 |
Exact Mass | 284.104859 g/mol |
SpectraBase Spectrum ID | 1ohYJ7ArVwv |
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Name | Isophthalic acid, ethyl 3-methylphenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 284.104858991 u |
Formula | C17H16O4 |
InChI | InChI=1S/C17H16O4/c1-3-20-16(18)13-7-5-8-14(11-13)17(19)21-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3 |
InChIKey | OFKGOZKVKPWQAY-UHFFFAOYSA-N |
SMILES | C1=C(C=C(C=C1)C)OC(C1=CC(C(OCC)=O)=CC=C1)=O |