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Phthalic acid, 2-(2-nitrophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 2-(2-nitrophenyl)ethyl pentyl ester
SpectraBase Compound ID H6yPHOPD6fS
InChI InChI=1S/C21H23NO6/c1-2-3-8-14-27-20(23)17-10-5-6-11-18(17)21(24)28-15-13-16-9-4-7-12-19(16)22(25)26/h4-7,9-12H,2-3,8,13-15H2,1H3
InChIKey KQLSKKQGAUFZFS-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 P9PvJV23gR
Name Phthalic acid, 2-(2-nitrophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.152537459 u
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-2-3-8-14-27-20(23)17-10-5-6-11-18(17)21(24)28-15-13-16-9-4-7-12-19(16)22(25)26/h4-7,9-12H,2-3,8,13-15H2,1H3
InChIKey KQLSKKQGAUFZFS-UHFFFAOYSA-N
Molecular Weight 385.416 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCCCC)=O