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Phthalic acid, cyclohexyl non-5-yn-3-yl ester

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

Phthalic acid, cyclohexyl non-5-yn-3-yl ester
SpectraBase Compound ID 4dBPq5CMICS
InChI InChI=1S/C23H30O4/c1-3-5-6-8-13-18(4-2)26-22(24)20-16-11-12-17-21(20)23(25)27-19-14-9-7-10-15-19/h11-12,16-19H,3-5,7,9-10,13-15H2,1-2H3
InChIKey VJOLSTAGVDVTQL-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CLnfhs167pd
Name Phthalic acid, cyclohexyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-3-5-6-8-13-18(4-2)26-22(24)20-16-11-12-17-21(20)23(25)27-19-14-9-7-10-15-19/h11-12,16-19H,3-5,7,9-10,13-15H2,1-2H3
InChIKey VJOLSTAGVDVTQL-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES C(C(OC(=O)C1=C(C=CC=C1)C(OC1CCCCC1)=O)CC#CCCC)C