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Isophthalic acid, isopropyl tetradecyl ester

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Isophthalic acid, isopropyl tetradecyl ester
SpectraBase Compound ID 429Ch7eze2D
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-24(26)22-17-16-18-23(20-22)25(27)29-21(2)3/h16-18,20-21H,4-15,19H2,1-3H3
InChIKey DOORNYXVWMDYNU-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ga0R2Z60BOs
Name Isophthalic acid, isopropyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-24(26)22-17-16-18-23(20-22)25(27)29-21(2)3/h16-18,20-21H,4-15,19H2,1-3H3
InChIKey DOORNYXVWMDYNU-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(OC(C1=CC(C(OCCCCCCCCCCCCCC)=O)=CC=C1)=O)(C)C