SpectraBase Compound ID | DbN5AAxrYLU |
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InChI | InChI=1S/C19H18O5/c1-13(2)12-23-18(21)14-7-5-8-15(10-14)19(22)24-17-9-4-3-6-16(17)11-20/h3-11,13H,12H2,1-2H3 |
InChIKey | ZUWDWQBENZNVTO-UHFFFAOYSA-N |
Mol Weight | 326.35 g/mol |
Molecular Formula | C19H18O5 |
Exact Mass | 326.115424 g/mol |
SpectraBase Spectrum ID | 7aOCCHz1EhL |
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Name | Isophthalic acid, 2-formylphenyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 326.115423675 u |
Formula | C19H18O5 |
InChI | InChI=1S/C19H18O5/c1-13(2)12-23-18(21)14-7-5-8-15(10-14)19(22)24-17-9-4-3-6-16(17)11-20/h3-11,13H,12H2,1-2H3 |
InChIKey | ZUWDWQBENZNVTO-UHFFFAOYSA-N |
Molecular Weight | 326.348 g/mol |
SMILES | C1=C(C(=CC=C1)C=O)OC(C1=CC(=CC=C1)C(OCC(C)C)=O)=O |