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Phthalic acid, cyclohexylmethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl dodecyl ester
SpectraBase Compound ID GBCUNiHkepo
InChI InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-23-17-12-11-13-18-23/h14-15,19-20,23H,2-13,16-18,21-22H2,1H3
InChIKey GGFAZYFZVSKZIY-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 1fByGIAOsyU
Name Phthalic acid, cyclohexylmethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-23-17-12-11-13-18-23/h14-15,19-20,23H,2-13,16-18,21-22H2,1H3
InChIKey GGFAZYFZVSKZIY-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C(CCCCCOC(C1=C(C=CC=C1)C(OCC1CCCCC1)=O)=O)CCCCCC