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Phthalic acid, dodecyl 3-methyl-2-nitrobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 3-methyl-2-nitrobenzyl ester
SpectraBase Compound ID 4EzLQx7hdG1
InChI InChI=1S/C28H37NO6/c1-3-4-5-6-7-8-9-10-11-14-20-34-27(30)24-18-12-13-19-25(24)28(31)35-21-23-17-15-16-22(2)26(23)29(32)33/h12-13,15-19H,3-11,14,20-21H2,1-2H3
InChIKey IZEOQJVCAKJVRK-UHFFFAOYSA-N
Mol Weight 483.6 g/mol
Molecular Formula C28H37NO6
Exact Mass 483.262088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxgxxvjuMoO
Name Phthalic acid, dodecyl 3-methyl-2-nitrobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.262087909 u
Formula C28H37NO6
InChI InChI=1S/C28H37NO6/c1-3-4-5-6-7-8-9-10-11-14-20-34-27(30)24-18-12-13-19-25(24)28(31)35-21-23-17-15-16-22(2)26(23)29(32)33/h12-13,15-19H,3-11,14,20-21H2,1-2H3
InChIKey IZEOQJVCAKJVRK-UHFFFAOYSA-N
Molecular Weight 483.605 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(C)C1N(=O)=O)C(=O)OCCCCCCCCCCCC