SpectraBase Compound ID | AXkNgHgYS5a |
---|---|
InChI | InChI=1S/C17H16O4/c1-2-12-20-16(18)14-10-6-7-11-15(14)17(19)21-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3 |
InChIKey | UXRKFDNQBWIPFE-UHFFFAOYSA-N |
Mol Weight | 284.31 g/mol |
Molecular Formula | C17H16O4 |
Exact Mass | 284.104859 g/mol |
SpectraBase Spectrum ID | ElKig8qhxXV |
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Name | Phthalic acid, phenyl propyl 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/c1-2-12-20-16(18)14-10-6-7-11-15(14)17(19)21-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3 |
InChIKey | UXRKFDNQBWIPFE-UHFFFAOYSA-N |
SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(=O)OCCC |