SpectraBase Compound ID | H4imfPRVuGt |
---|---|
InChI | InChI=1S/C22H20O4/c1-15(2)14-25-21(23)18-11-5-6-12-19(18)22(24)26-20-13-7-9-16-8-3-4-10-17(16)20/h3-13,15H,14H2,1-2H3 |
InChIKey | MQJCYCTXQJMFJJ-UHFFFAOYSA-N |
Mol Weight | 348.4 g/mol |
Molecular Formula | C22H20O4 |
Exact Mass | 348.136159 g/mol |
SpectraBase Spectrum ID | 5RhwfArA4kR |
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Name | Phthalic acid, isobutyl 1-naphthyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 348.136159120 u |
Formula | C22H20O4 |
InChI | InChI=1S/C22H20O4/c1-15(2)14-25-21(23)18-11-5-6-12-19(18)22(24)26-20-13-7-9-16-8-3-4-10-17(16)20/h3-13,15H,14H2,1-2H3 |
InChIKey | MQJCYCTXQJMFJJ-UHFFFAOYSA-N |
Molecular Weight | 348.398 g/mol |
SMILES | C(C1=C(C=CC=C1)C(=O)OCC(C)C)(OC1=C2C(=CC=C1)C=CC=C2)=O |