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Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester

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Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester
SpectraBase Compound ID 68WfaYMbabb
InChI InChI=1S/C19H19NO7/c1-2-11-26-18(21)16-5-3-4-6-17(16)19(22)27-13-12-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11-13H2,1H3
InChIKey MCZVCEYLIPOISG-UHFFFAOYSA-N
Mol Weight 373.36 g/mol
Molecular Formula C19H19NO7
Exact Mass 373.116152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ0xWd0dEme
Name Phthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.116151949 u
Formula C19H19NO7
InChI InChI=1S/C19H19NO7/c1-2-11-26-18(21)16-5-3-4-6-17(16)19(22)27-13-12-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11-13H2,1H3
InChIKey MCZVCEYLIPOISG-UHFFFAOYSA-N
Molecular Weight 373.361 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCCC