SpectraBase Compound ID | 1zqfJ8FWvwf |
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InChI | InChI=1S/C20H30O4/c1-5-8-14-23-19(21)16-10-12-17(13-11-16)20(22)24-18(7-3)15(4)9-6-2/h10-13,15,18H,5-9,14H2,1-4H3 |
InChIKey | IMNRFXGEROVBSX-UHFFFAOYSA-N |
Mol Weight | 334.46 g/mol |
Molecular Formula | C20H30O4 |
Exact Mass | 334.214409 g/mol |
SpectraBase Spectrum ID | 5Uu2sS46F96 |
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Name | Terephthalic acid, butyl 4-methylhept-3-yl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 334.214409442 u |
Formula | C20H30O4 |
InChI | InChI=1S/C20H30O4/c1-5-8-14-23-19(21)16-10-12-17(13-11-16)20(22)24-18(7-3)15(4)9-6-2/h10-13,15,18H,5-9,14H2,1-4H3 |
InChIKey | IMNRFXGEROVBSX-UHFFFAOYSA-N |
Molecular Weight | 334.456 g/mol |
SMILES | C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OC(C(C)CCC)CC |