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Isoquinoline, 1-[3-benzyloxy-5-methoxybenzyl]-N-formyl-1,2,3,4-

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Isoquinoline, 1-[3-benzyloxy-5-methoxybenzyl]-N-formyl-1,2,3,4-
SpectraBase Compound ID 3xYDoC8HrbM
InChI InChI=1S/C26H27NO4/c1-29-22-8-9-25-21(15-22)10-11-27(18-28)26(25)14-20-12-23(30-2)16-24(13-20)31-17-19-6-4-3-5-7-19/h3-9,12-13,15-16,18,26H,10-11,14,17H2,1-2H3
InChIKey SMNXMCJFXQPGIK-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C26H27NO4
Exact Mass 417.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22sopL9v9De
Name Isoquinoline, 1-[3-benzyloxy-5-methoxybenzyl]-N-formyl-1,2,3,4-
Comments Computed using HOSE algorithm
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Exact Mass 417.194008349 u
Formula C26H27NO4
InChI InChI=1S/C26H27NO4/c1-29-22-8-9-25-21(15-22)10-11-27(18-28)26(25)14-20-12-23(30-2)16-24(13-20)31-17-19-6-4-3-5-7-19/h3-9,12-13,15-16,18,26H,10-11,14,17H2,1-2H3
InChIKey SMNXMCJFXQPGIK-UHFFFAOYSA-N
Molecular Weight 417.505 g/mol
SMILES C1(=CC(=CC(=C1)OC)CC1C2=C(CCN1C=O)C=C(C=C2)OC)OCC1=CC=CC=C1