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Phthalic acid, cyclohexylmethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl undecyl ester
SpectraBase Compound ID KlcF94P9LRZ
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-22-16-11-10-12-17-22/h13-14,18-19,22H,2-12,15-17,20-21H2,1H3
InChIKey JELDWLXXIHQLMY-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bsyo83emf3W
Name Phthalic acid, cyclohexylmethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-22-16-11-10-12-17-22/h13-14,18-19,22H,2-12,15-17,20-21H2,1H3
InChIKey JELDWLXXIHQLMY-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C(CCCCCCOC(C1=C(C=CC=C1)C(OCC1CCCCC1)=O)=O)CCCC