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Isophthalic acid, cyclopentylmethyl dodecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cyclopentylmethyl dodecyl ester
SpectraBase Compound ID KkPB7KbWGFJ
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-13-19-29-25(27)23-17-14-18-24(20-23)26(28)30-21-22-15-11-12-16-22/h14,17-18,20,22H,2-13,15-16,19,21H2,1H3
InChIKey TZXNHISFKFEFQT-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 5MfxC31JRiN
Name Isophthalic acid, cyclopentylmethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-13-19-29-25(27)23-17-14-18-24(20-23)26(28)30-21-22-15-11-12-16-22/h14,17-18,20,22H,2-13,15-16,19,21H2,1H3
InChIKey TZXNHISFKFEFQT-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCCCCCCCCC)=O)=O