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3-Benzoyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-(p-tolyl)-(1,2,4)-triazolo[3,4-a]isoquinoline
SpectraBase Compound ID Igy1qJfnmXQ
InChI InChI=1S/C28H29N3O3/c1-4-33-24-17-21-15-16-30-27(26(32)20-9-7-6-8-10-20)29-31(22-13-11-19(3)12-14-22)28(30)23(21)18-25(24)34-5-2/h6-14,17-18,28H,4-5,15-16H2,1-3H3
InChIKey SOVUQOHZPCFQOG-UHFFFAOYSA-N
Mol Weight 455.56 g/mol
Molecular Formula C28H29N3O3
Exact Mass 455.220892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQUsaYPVIuh
Name 3-Benzoyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-(p-tolyl)-(1,2,4)-triazolo[3,4-a]isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N3O3
InChI InChI=1S/C28H29N3O3/c1-4-33-24-17-21-15-16-30-27(26(32)20-9-7-6-8-10-20)29-31(22-13-11-19(3)12-14-22)28(30)23(21)18-25(24)34-5-2/h6-14,17-18,28H,4-5,15-16H2,1-3H3
InChIKey SOVUQOHZPCFQOG-UHFFFAOYSA-N
Molecular Weight 455.558 g/mol
SMILES C=1(N2C(N(N1)c1ccc(cc1)C)c1cc(OCC)c(cc1CC2)OCC)C(=O)c1ccccc1
SPLASH splash10-0zfr-0000900000-f2d41151c6d5b79b375c
Source of Spectrum H-85-326-11
Synonyms 3-Benzoyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-(4'-methylphenyl)-1,2,4-triazolo[3,4-a]isoquinoline [8,9-diethoxy-1-(4-methylphenyl)-1,5,6,10b-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl](phenyl)methanone
Wiley ID 1525171