SpectraBase Compound ID | CITpVyiOBAQ |
---|---|
InChI | InChI=1S/C19H20O4/c1-12(2)22-18(20)16-7-5-6-8-17(16)19(21)23-15-10-13(3)9-14(4)11-15/h5-12H,1-4H3 |
InChIKey | SZERBJUMJZIRRC-UHFFFAOYSA-N |
Mol Weight | 312.37 g/mol |
Molecular Formula | C19H20O4 |
Exact Mass | 312.136159 g/mol |
SpectraBase Spectrum ID | 1fKaSxqAXo5 |
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Name | Phthalic acid, 3,5-dimethylphenyl 2-propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 312.136159120 u |
Formula | C19H20O4 |
InChI | InChI=1S/C19H20O4/c1-12(2)22-18(20)16-7-5-6-8-17(16)19(21)23-15-10-13(3)9-14(4)11-15/h5-12H,1-4H3 |
InChIKey | SZERBJUMJZIRRC-UHFFFAOYSA-N |
Molecular Weight | 312.365 g/mol |
SMILES | C1(=C(C=CC=C1)C(OC(C)C)=O)C(OC1=CC(C)=CC(C)=C1)=O |