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Phthalic acid, cyclohexylmethyl decyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, cyclohexylmethyl decyl ester
SpectraBase Compound ID AK5gM3Z3U2H
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-14-19-28-24(26)22-17-12-13-18-23(22)25(27)29-20-21-15-10-9-11-16-21/h12-13,17-18,21H,2-11,14-16,19-20H2,1H3
InChIKey HDPGMOCTDOXPRT-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CmorxYE4ti
Name Phthalic acid, cyclohexylmethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-14-19-28-24(26)22-17-12-13-18-23(22)25(27)29-20-21-15-10-9-11-16-21/h12-13,17-18,21H,2-11,14-16,19-20H2,1H3
InChIKey HDPGMOCTDOXPRT-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(=O)OCCCCCCCCCC)=O)C1CCCCC1