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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester

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Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester
SpectraBase Compound ID CTrS0aFdCbr
InChI InChI=1S/C19H21F7O4/c1-2-3-4-5-8-11-29-15(27)13-9-6-7-10-14(13)16(28)30-12-17(20,21)18(22,23)19(24,25)26/h6-7,9-10H,2-5,8,11-12H2,1H3
InChIKey YXBOHROFXNFVJK-UHFFFAOYSA-N
Mol Weight 446.36 g/mol
Molecular Formula C19H21F7O4
Exact Mass 446.132806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bH7KKESM7Y
Name Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.132806293 u
Formula C19H21F7O4
InChI InChI=1S/C19H21F7O4/c1-2-3-4-5-8-11-29-15(27)13-9-6-7-10-14(13)16(28)30-12-17(20,21)18(22,23)19(24,25)26/h6-7,9-10H,2-5,8,11-12H2,1H3
InChIKey YXBOHROFXNFVJK-UHFFFAOYSA-N
Molecular Weight 446.362 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCC)=O)C(OCC(C(C(F)(F)F)(F)F)(F)F)=O