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Phthalic acid, 4-nitrobenzyl pentyl ester

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Phthalic acid, 4-nitrobenzyl pentyl ester
SpectraBase Compound ID DrCR8kVHqw8
InChI InChI=1S/C20H21NO6/c1-2-3-6-13-26-19(22)17-7-4-5-8-18(17)20(23)27-14-15-9-11-16(12-10-15)21(24)25/h4-5,7-12H,2-3,6,13-14H2,1H3
InChIKey UQHHNUBPYYCGEW-UHFFFAOYSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5g5356RkGN
Name Phthalic acid, 4-nitrobenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 371.136887394 u
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-2-3-6-13-26-19(22)17-7-4-5-8-18(17)20(23)27-14-15-9-11-16(12-10-15)21(24)25/h4-5,7-12H,2-3,6,13-14H2,1H3
InChIKey UQHHNUBPYYCGEW-UHFFFAOYSA-N
Molecular Weight 371.389 g/mol
SMILES C(C1=CC=CC=C1C(=O)OCC1=CC=C(C=C1)N(=O)=O)(OCCCCC)=O