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3-Benzoyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-phenyl-(1,2,4)-triazolo[3,4-a]isoquinoline
SpectraBase Compound ID 15VOsyWyuLG
InChI InChI=1S/C27H27N3O3/c1-3-32-23-17-20-15-16-29-26(25(31)19-11-7-5-8-12-19)28-30(21-13-9-6-10-14-21)27(29)22(20)18-24(23)33-4-2/h5-14,17-18,27H,3-4,15-16H2,1-2H3
InChIKey VAXYQRHIHZEHSH-UHFFFAOYSA-N
Mol Weight 441.53 g/mol
Molecular Formula C27H27N3O3
Exact Mass 441.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7U4rv66D4Q8
Name 3-Benzoyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-phenyl-(1,2,4)-triazolo[3,4-a]isoquinoline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N3O3
InChI InChI=1S/C27H27N3O3/c1-3-32-23-17-20-15-16-29-26(25(31)19-11-7-5-8-12-19)28-30(21-13-9-6-10-14-21)27(29)22(20)18-24(23)33-4-2/h5-14,17-18,27H,3-4,15-16H2,1-2H3
InChIKey VAXYQRHIHZEHSH-UHFFFAOYSA-N
Molecular Weight 441.531 g/mol
SMILES C12N(CCc3cc(c(cc23)OCC)OCC)C(=NN1c1ccccc1)C(c1ccccc1)=O
SPLASH splash10-0006-0000900000-2c5a209749df732baeac
Source of Spectrum H-85-326-11
Synonyms 3-Benzoyl-8,9-diethoxy-1,5,6,10b-tetrahydro-1-phenyl-1,2,4-triazolo[3,4-a]isoquinoline (8,9-diethoxy-1-phenyl-1,5,6,10b-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)(phenyl)methanone
Wiley ID 1525172