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Phthalic acid, cycloheptyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cycloheptyl dodecyl ester
SpectraBase Compound ID KfzpAUEuKE0
InChI InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-12-17-22-30-26(28)24-20-15-16-21-25(24)27(29)31-23-18-13-10-11-14-19-23/h15-16,20-21,23H,2-14,17-19,22H2,1H3
InChIKey HIHMBNGUFUSGKR-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BfBdHRHfgn
Name Phthalic acid, cycloheptyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-12-17-22-30-26(28)24-20-15-16-21-25(24)27(29)31-23-18-13-10-11-14-19-23/h15-16,20-21,23H,2-14,17-19,22H2,1H3
InChIKey HIHMBNGUFUSGKR-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C(CCCCOC(C1=C(C=CC=C1)C(OC1CCCCCC1)=O)=O)CCCCCCC