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

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methyl-2-nitrobenzyl undecyl ester
SpectraBase Compound ID 2xdUUEI3D8l
InChI InChI=1S/C27H35NO6/c1-3-4-5-6-7-8-9-10-13-19-33-26(29)23-17-11-12-18-24(23)27(30)34-20-22-16-14-15-21(2)25(22)28(31)32/h11-12,14-18H,3-10,13,19-20H2,1-2H3
InChIKey KCKNMBRZSMYTFR-UHFFFAOYSA-N
Mol Weight 469.6 g/mol
Molecular Formula C27H35NO6
Exact Mass 469.246438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4EYdbcOj6b
Name Phthalic acid, 3-methyl-2-nitrobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 469.246437845 u
Formula C27H35NO6
InChI InChI=1S/C27H35NO6/c1-3-4-5-6-7-8-9-10-13-19-33-26(29)23-17-11-12-18-24(23)27(30)34-20-22-16-14-15-21(2)25(22)28(31)32/h11-12,14-18H,3-10,13,19-20H2,1-2H3
InChIKey KCKNMBRZSMYTFR-UHFFFAOYSA-N
Molecular Weight 469.578 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(C)C1N(=O)=O)C(=O)OCCCCCCCCCCC