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

View entire compound with spectra: 1 NMR

Phthalic acid, 3-methyl-4-nitrobenzyl pentyl ester
SpectraBase Compound ID AtZbFM0IrSe
InChI InChI=1S/C21H23NO6/c1-3-4-7-12-27-20(23)17-8-5-6-9-18(17)21(24)28-14-16-10-11-19(22(25)26)15(2)13-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
InChIKey SNDGDPDJPIUGBD-UHFFFAOYSA-N
Mol Weight 385.42 g/mol
Molecular Formula C21H23NO6
Exact Mass 385.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVBFdyTWkPB
Name Phthalic acid, 3-methyl-4-nitrobenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.152537459 u
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-3-4-7-12-27-20(23)17-8-5-6-9-18(17)21(24)28-14-16-10-11-19(22(25)26)15(2)13-16/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3
InChIKey SNDGDPDJPIUGBD-UHFFFAOYSA-N
Molecular Weight 385.416 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC=1C=CC(=C(C)C1)N(=O)=O)C(=O)OCCCCC