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6,7-Dimethoxy-1-[2-[N-(4-methylthiophenyl-2,2-dimethyl[1,3]-dioxan-5-yl)amido]benzyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID G2oenFN9dLm
InChI InChI=1S/C32H38N2O5S/c1-32(2)38-19-27(30(39-32)20-10-12-23(40-5)13-11-20)34-31(35)24-9-7-6-8-21(24)16-26-25-18-29(37-4)28(36-3)17-22(25)14-15-33-26/h6-13,17-18,26-27,30,33H,14-16,19H2,1-5H3,(H,34,35)/t26?,27-,30-/m0/s1
InChIKey AJUJOHZJHVUJLM-GEULSNLOSA-N
Mol Weight 562.7 g/mol
Molecular Formula C32H38N2O5S
Exact Mass 562.250144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr1aS7T2zmM
Name 6,7-Dimethoxy-1-[2-[N-(4-methylthiophenyl-2,2-dimethyl[1,3]-dioxan-5-yl)amido]benzyl]-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38N2O5S
InChI InChI=1S/C32H38N2O5S/c1-32(2)38-19-27(30(39-32)20-10-12-23(40-5)13-11-20)34-31(35)24-9-7-6-8-21(24)16-26-25-18-29(37-4)28(36-3)17-22(25)14-15-33-26/h6-13,17-18,26-27,30,33H,14-16,19H2,1-5H3,(H,34,35)/t26?,27-,30-/m0/s1
InChIKey AJUJOHZJHVUJLM-GEULSNLOSA-N
Molecular Weight 562.725 g/mol
SMILES N([C@@]1([C@@](OC(OC1)(C)C)(c1ccc(cc1)SC)[H])[H])C(c1c(CC2c3cc(OC)c(cc3CCN2)OC)cccc1)=O
SPLASH splash10-052f-0904000000-49976093d11df269ba50
Source of Spectrum KD-15-2565-9
Wiley ID 1637137