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Phthalic acid, decyl phenyl ester
SpectraBase Compound ID 7lWeHYUNyvs
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-7-8-14-19-27-23(25)21-17-12-13-18-22(21)24(26)28-20-15-10-9-11-16-20/h9-13,15-18H,2-8,14,19H2,1H3
InChIKey WDEGLGNFOAWNFV-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2J9LUPz6byR
Name Phthalic acid, decyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-2-3-4-5-6-7-8-14-19-27-23(25)21-17-12-13-18-22(21)24(26)28-20-15-10-9-11-16-20/h9-13,15-18H,2-8,14,19H2,1H3
InChIKey WDEGLGNFOAWNFV-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCCCCC)(OC1=CC=CC=C1)=O