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2-Methoxy-5-nitro-N-[5-phthalimido-2-pentyl]aniline
SpectraBase Compound ID 3v0irr7OZlu
InChI InChI=1S/C20H21N3O5/c1-13(21-17-12-14(23(26)27)9-10-18(17)28-2)6-5-11-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-10,12-13,21H,5-6,11H2,1-2H3
InChIKey BXMPFLAVANUGNI-UHFFFAOYSA-N
Mol Weight 383.4 g/mol
Molecular Formula C20H21N3O5
Exact Mass 383.148121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2nw0F5bnsge
Name 2-Methoxy-5-nitro-N-[5-phthalimido-2-pentyl]aniline
Comments Computed using HOSE algorithm
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Exact Mass 383.148120783 u
Formula C20H21N3O5
InChI InChI=1S/C20H21N3O5/c1-13(21-17-12-14(23(26)27)9-10-18(17)28-2)6-5-11-22-19(24)15-7-3-4-8-16(15)20(22)25/h3-4,7-10,12-13,21H,5-6,11H2,1-2H3
InChIKey BXMPFLAVANUGNI-UHFFFAOYSA-N
Molecular Weight 383.404 g/mol
SMILES C1=C(C(=CC=C1N(=O)=O)OC)NC(C)CCCN1C(C2=CC=CC=C2C1=O)=O