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Isoquinoline, 1-ethoxy-3-methyl-6,8-bis(phenylmethoxy)-
SpectraBase Compound ID BS1U9VdeYzv
InChI InChI=1S/C26H25NO3/c1-3-28-26-25-22(14-19(2)27-26)15-23(29-17-20-10-6-4-7-11-20)16-24(25)30-18-21-12-8-5-9-13-21/h4-16H,3,17-18H2,1-2H3
InChIKey JFRMTNDGQZJDHF-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C26H25NO3
Exact Mass 399.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aj3rYrg3eay
Name Isoquinoline, 1-ethoxy-3-methyl-6,8-bis(phenylmethoxy)-
Alternate Name(s) 6,8-bis(benzyloxy)-1-ethoxy-3-methylisoquinoline 6,8-Dibenzyloxy-1-ethoxy-3-methylisoquinoline
CAS Registry Number 111536-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO3
InChI InChI=1S/C26H25NO3/c1-3-28-26-25-22(14-19(2)27-26)15-23(29-17-20-10-6-4-7-11-20)16-24(25)30-18-21-12-8-5-9-13-21/h4-16H,3,17-18H2,1-2H3
InChIKey JFRMTNDGQZJDHF-UHFFFAOYSA-N
Molecular Weight 399.490 g/mol
SMILES c1(c2c(cc(cc2cc(n1)C)OCc1ccccc1)OCc1ccccc1)OCC
SPLASH splash10-0006-9002000000-239f5d25a478d13f0373
Source of Spectrum KC-1987-1397-12
Wiley ID 1369104