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Phthalic acid, 3-methyl-4-nitrobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methyl-4-nitrobenzyl undecyl ester
SpectraBase Compound ID 700FG6pgvPp
InChI InChI=1S/C27H35NO6/c1-3-4-5-6-7-8-9-10-13-18-33-26(29)23-14-11-12-15-24(23)27(30)34-20-22-16-17-25(28(31)32)21(2)19-22/h11-12,14-17,19H,3-10,13,18,20H2,1-2H3
InChIKey NWTXJZLLJSDHHV-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 F2G2z3z9hQ7
Name Phthalic acid, 3-methyl-4-nitrobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 469.246437845 u
Formula C27H35NO6
InChI InChI=1S/C27H35NO6/c1-3-4-5-6-7-8-9-10-13-18-33-26(29)23-14-11-12-15-24(23)27(30)34-20-22-16-17-25(28(31)32)21(2)19-22/h11-12,14-17,19H,3-10,13,18,20H2,1-2H3
InChIKey NWTXJZLLJSDHHV-UHFFFAOYSA-N
Molecular Weight 469.578 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC(=C(C)C1)N(=O)=O)C(=O)OCCCCCCCCCCC