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Phthalic acid, nonyl tridec-2-yn-1-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl tridec-2-yn-1-yl ester
SpectraBase Compound ID GWPXnGI0Yzg
InChI InChI=1S/C30H46O4/c1-3-5-7-9-11-12-13-14-16-18-22-26-34-30(32)28-24-20-19-23-27(28)29(31)33-25-21-17-15-10-8-6-4-2/h19-20,23-24H,3-17,21,25-26H2,1-2H3
InChIKey LFXMOQHPAFWMGJ-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C30H46O4
Exact Mass 470.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bh3TOQHBd6O
Name Phthalic acid, nonyl tridec-2-yn-1-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.339609957 u
Formula C30H46O4
InChI InChI=1S/C30H46O4/c1-3-5-7-9-11-12-13-14-16-18-22-26-34-30(32)28-24-20-19-23-27(28)29(31)33-25-21-17-15-10-8-6-4-2/h19-20,23-24H,3-17,21,25-26H2,1-2H3
InChIKey LFXMOQHPAFWMGJ-UHFFFAOYSA-N
Molecular Weight 470.694 g/mol
SMILES CCCCCCCCCOC(C1=C(C=CC=C1)C(OCC#CCCCCCCCCCC)=O)=O