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Isoquinoline, 3,4-dihydro-1-[2-nitrobenzyl]-6,7-dimethoxy-

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

Isoquinoline, 3,4-dihydro-1-[2-nitrobenzyl]-6,7-dimethoxy-
SpectraBase Compound ID 3fYb7RuxuXO
InChI InChI=1S/C18H18N2O4/c1-23-17-10-12-7-8-19-15(14(12)11-18(17)24-2)9-13-5-3-4-6-16(13)20(21)22/h3-6,10-11H,7-9H2,1-2H3
InChIKey FKXCNRDYOFZHDG-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SHIkFYZuef
Name Isoquinoline, 3,4-dihydro-1-[2-nitrobenzyl]-6,7-dimethoxy-
Comments Computed using HOSE algorithm
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Exact Mass 326.126657064 u
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-23-17-10-12-7-8-19-15(14(12)11-18(17)24-2)9-13-5-3-4-6-16(13)20(21)22/h3-6,10-11H,7-9H2,1-2H3
InChIKey FKXCNRDYOFZHDG-UHFFFAOYSA-N
Molecular Weight 326.352 g/mol
SMILES C12=C(C=C(C(=C2)OC)OC)CCN=C1CC=1C=CC=CC1N(=O)=O