SpectraBase Compound ID | 5KG8xanD9a4 |
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InChI | InChI=1S/C18H17FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3 |
InChIKey | VBBOWYZLHUVTKQ-UHFFFAOYSA-N |
Mol Weight | 316.33 g/mol |
Molecular Formula | C18H17FO4 |
Exact Mass | 316.111087 g/mol |
SpectraBase Spectrum ID | KWj05kIU6bE |
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Name | Phthalic acid, 3-fluorophenyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 316.111087186 u |
Formula | C18H17FO4 |
InChI | InChI=1S/C18H17FO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h3-10,12H,11H2,1-2H3 |
InChIKey | VBBOWYZLHUVTKQ-UHFFFAOYSA-N |
Molecular Weight | 316.328 g/mol |
SMILES | C1(=CC=CC=C1C(OCC(C)C)=O)C(OC1=CC(=CC=C1)F)=O |