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Phthalic acid, butyl 4-nitrophenyl ester
SpectraBase Compound ID 10eE9SHhypz
InChI InChI=1S/C18H17NO6/c1-2-3-12-24-17(20)15-6-4-5-7-16(15)18(21)25-14-10-8-13(9-11-14)19(22)23/h4-11H,2-3,12H2,1H3
InChIKey SKHPBDPICNRPGI-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C18H17NO6
Exact Mass 343.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HuwqvXmkvAa
Name Phthalic acid, butyl 4-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 343.105587265 u
Formula C18H17NO6
InChI InChI=1S/C18H17NO6/c1-2-3-12-24-17(20)15-6-4-5-7-16(15)18(21)25-14-10-8-13(9-11-14)19(22)23/h4-11H,2-3,12H2,1H3
InChIKey SKHPBDPICNRPGI-UHFFFAOYSA-N
Molecular Weight 343.335 g/mol
SMILES C(C1=C(C=CC=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)(OCCCC)=O