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Phthalic acid, heptyl 4-nitrophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 4-nitrophenyl ester
SpectraBase Compound ID LdTjOyZK7Eq
InChI InChI=1S/C21H23NO6/c1-2-3-4-5-8-15-27-20(23)18-9-6-7-10-19(18)21(24)28-17-13-11-16(12-14-17)22(25)26/h6-7,9-14H,2-5,8,15H2,1H3
InChIKey DIFZIRRYGMCDHX-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 Jry28kYvUVS
Name Phthalic acid, heptyl 4-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.152537459 u
Formula C21H23NO6
InChI InChI=1S/C21H23NO6/c1-2-3-4-5-8-15-27-20(23)18-9-6-7-10-19(18)21(24)28-17-13-11-16(12-14-17)22(25)26/h6-7,9-14H,2-5,8,15H2,1H3
InChIKey DIFZIRRYGMCDHX-UHFFFAOYSA-N
Molecular Weight 385.416 g/mol
SMILES C1(=CC=C(C=C1)N(=O)=O)OC(C1=C(C(OCCCCCCC)=O)C=CC=C1)=O